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Propylene carbonate structure
Propylene carbonate structure

Propylene carbonate

Iupac Name:4-methyl-1,3-dioxolan-2-one
CAS No.: 108-32-7
Molecular Weight:102.08864
Modify Date.: 2022-11-22 16:07
Introduction:

As a high-efficiency solvent, it can be used to remove carbon dioxide from petroleum gas, petroleum cracking gas, oil field gas and ammonia synthesis gas. It can also be used as plasticizer, spinning solvent or water-soluble dye, pigment dispersant, oily solvent and Extractant for olefins and aromatics.


Adhesives and sealant chemicals


Adhesives and sealants

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1. Names and Identifiers
1.1 Name
Propylene carbonate
1.2 Synonyms

1, 3-Dioxolan-2-one, 4-methyl- 1,2-Propanediol cyclic carbonate 1,2-Propanediol cyclic carbonate,4-Methyl-1,3-dioxolan-2-one 1,2-propanediolcarbonate 1,2-Propanediyl carbonate 1,2-propanediylcarbonate 1,3-Dioxolan-2-one, 4-methyl- 1,3-dioxolane-2-one,4-methyl 1-Methylethylene carbonate 1-methylethylenecarbonate 2-Oxo-4-methyl-1,3-dioxolane 2-Propanediolcycliccarbonate 4-Methyl-1,3-dioxol-2-one 4-Methyl-1,3-dioxolan-2-one 4-Methyl-2-oxo-1,3-dioxolane Arconate 1000 Carbonic acid cyclic 1,2-propylene ester Carbonic acid, cyclic propylene ether Cyclic propylene carbonate EINECS 203-572-1 Jeffsol PC MFCD00005385 PC-HP Propylene glycol cyclic carbonate

1.3 CAS No.
108-32-7
1.4 CID
7924
1.5 EINECS(EC#)
203-572-1
1.6 Molecular Formula
C4H6O3 (isomer)
1.7 Inchi
InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3
1.8 InChkey
RUOJZAUFBMNUDX-UHFFFAOYSA-N
1.9 Canonical Smiles
CC1COC(=O)O1
1.10 Isomers Smiles
CC1COC(=O)O1
2. Properties
2.1 Density
1.204
2.1 Melting point
-49℃
2.1 Boiling point
240-243℃
2.1 Refractive index
1.42-1.422
2.1 Flash Point
123℃
2.1 Precise Quality
102.031693
2.1 PSA
35.53
2.1 logP
0.54170
2.1 Solubility
240g/l
2.2 Appearance
Clear Liquid
2.3 Storage
Propylene carbonate and its aqueous solutions are stable but maydegrade in the presence of acids or bases, or upon heating;Store in a well-closed container in a cool, dry place.
2.4 Chemical Properties
colourless liquid
2.5 Color/Form
Colorless liquid|Clear, colorless liquid
2.6 Decomposition
When heated to decomposition it emits acrid smoke and irritating fumes.
2.7 Odor
Odorless|Weak odor
2.8 PH
7.0 (200g/l, H2O, 20℃)
2.9 Water Solubility
H2O: 240 g/L (20 oC)
2.10 Spectral Properties
Refractive index: 1.4189 at 20 deg C
IR: 2:325 F (Aldrich Library of Infrared Spectra, Aldrich Chemical Co., Milwaukee, Wl)
NMR: 3:27B (Aldrich Library of Mass Spectra, Aldrich Chemical Co., Milwaukee, Wl)
Mass: 95 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
2.11 Stability
Stable. Incompatible with strong oxidizing agents, acids, bases, reducing agents. Protect from contact with moist air or water.
2.12 StorageTemp
Store below +30°C.
3. Use and Manufacturing
3.1 Methods of Manufacturing
1. The phosgene process raw material propylene glycol reacts with phosgene to generate hydroxyisopropyl chloroformate, and then reacts with sodium hydroxide to generate propylene carbonate, which is then distilled under reduced pressure to obtain a finished product. 2. Transesterification method. 3. The chloropropanol method. 4. Propylene oxide and carbon dioxide synthesis method Carbon dioxide and propylene oxide react at 150-160°C and 5MPa to generate propylene carbonate. The finished product is obtained by vacuum fractionation. The above methods have been industrialized, but the first three methods have high production costs and poor product quality, so they are gradually replaced by the fourth method. 5. Propylene oxidation and carbon dioxide synthesis method. This method is a synthetic method developed in the laboratory in recent years.
3.2 Produe Method
Propylene carbonate may be prepared by the reaction of sodiumbicarbonate with propylene chlorohydrin.
3.3 Purification Methods
It is manufactured by reaction of 1,2-propylene oxide with CO2 in the presence of a catalyst (quaternary ammonium halide). Contaminants include propylene oxide, carbon dioxide, 1,2-and 1,3-propanediols, allyl alcohol and ethylene carbonate. It can be purified by percolation through molecular sieves (Linde 5A, dried at 350o for 14hours under a stream of argon), followed by distillation under a vacuum. [Jasinski & Kirkland Anal Chem 39 163 1967.] It can be stored over molecular sieves under an inert gas atmosphere. When purified in this way it contains less than 2ppm of water. Activated alumina and dried CaO have also been used as drying agents prior to fractional distillation under reduced pressure. It has been dried with 3A molecular sieves and distilled under nitrogen in the presence of p-toluenesulfonic acid, then redistilled and the middle fraction collected. [Beilstein 19 III/IV 1564, 19/4 V 21.]
3.4 Usage
Pharmaceutic aid (gelling agent).
4. Safety and Handling
4.1 Symbol
GHS07
4.1 Hazard Codes
Xi
4.1 Signal Word
Warning
4.1 Risk Statements
R36
4.1 Safety Statements
26-37/39
4.1 Exposure Standards and Regulations
Propylene carbonate is an indirect food additive for use only as a component of adhesives.
4.2 Packing Group
Z01
4.2 Octanol/Water Partition Coefficient
log Kow= -0.41
4.3 Hazard Declaration
H319
4.3 DisposalMethods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
4.4 RIDADR
无资料?
4.4 Fire Fighting Procedures
Water or foam may cause frothing.
4.5 Caution Statement
P305 + P351 + P338
4.5 Incompatibilities
Propylene carbonate hydrolyzes rapidly in the presence of strongacids and bases, forming mainly propylene oxide and carbondioxide. Propylene carbonate can also react with primary andsecondary amines to yield carbamates.
4.6 WGK Germany
1
4.6 RTECS
FF9650000
4.6 Report

Reported in EPA TSCA Inventory.

4.7 Safety

Hazard Codes:?IrritantXi
Risk Statements: 36?
R36: Irritating to eyes.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 1
RTECS: FF9650000
F: 3-10
HS Code: 29209010
Mildly toxic by ingestion and other routes. A human skin irritant. An eye irritant. See also ESTERS. Combustible when exposed to heat or flame. To fight fire, use alcohol foam. Can react with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
CARBONIC ACID CYCLIC PROPYLENE ESTER?(108-32-7) has the safty information.
?

4.8 Specification

colourless liquid
Safety Statements:26-37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37/39:Wear suitable protective clothing, gloves and eye/face protection
4.9 Toxicity
Oral-Rat? LD50: 34900 mg/kg; Oral-Mouse LD50: 20700 mg/kg
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

9. Other Information
9.0 Storage Conditions
1. The phosgene process raw material propylene glycol reacts with phosgene to generate hydroxyisopropyl chloroformate, and then reacts with sodium hydroxide to generate propylene carbonate, which is then distilled under reduced pressure to obtain a finished product. 2. Transesterification method. 3. The chloropropanol method. 4. Propylene oxide and carbon dioxide synthesis method Carbon dioxide and propylene oxide react at 150-160°C and 5MPa to generate propylene carbonate. The finished product is obtained by vacuum fractionation. The above methods have been industrialized, but the first three methods have high production costs and poor product quality, so they are gradually replaced by the fourth method. 5. Propylene oxidation and carbon dioxide synthesis method. This method is a synthetic method developed in the laboratory in recent years.
9.1 Henrys Law Constant
Henry's Law constant = 3.5X10-8 atm-cu m/mole at 25 °C (est)
9.2 Experimental Properties
Hydroxyl radical reaction rate constant = 3.8X10-12 cu cm/molecule-sec at 25 °C (est)
9.3 Storage features
Completely packed, lightly placed; storeroom ventilated, away from open flames, high temperature, and stored separately from oxidants
9.4 Disposal Methods
SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.|Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging: Dispose of as unused product.
9.5 FDA Requirements
Propylene carbonate is an indirect food additive for use only as a component of adhesives.
9.6 Special Reports
Anonymous; Final Report on the Safety Assessment of Propylene Carbonate. J Am Coll Toxicol 6 (1): 23-51 (1987). The toxicologic properties of propylene carbonate were reviewed, with emphasis on the use of propylene carbonate as a cosmetic ingredient. Topics included chemical properties, physical properties, and cosmetic and noncosmetic uses of propylene carbonate. Propylene carbonate has been used as a polar additive for montmorillonite or bentonite clay gellants, widely used as bases for antiperspirants, lipstick, skin cleansers, eye shadow, mascara, hair conditioners, and other products. ...
9.7 Personal Protective Equipment
Eye/face protection: Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).|Skin protection: Handle with gloves.|Body Protection: Impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.|Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multipurpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
9.8 Fire Potential
Combustible when exposed to heat or flame.
9.9 Fire Fighting Procedures
Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.|Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.|Water or foam may cause frothing.
9.10 Cleanup Methods
ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.; Environmental precautions: Do not let product enter drains.; Methods and materials for containment and cleaning up: Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal.
9.11 Preventive Measures
Precautions for safe handling: Avoid contact with skin and eyes. Avoid inhalation of vapor or mist.|Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.|Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.|SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
9.12 Environmental Concentrations
Propylene carbonate is listed as an ingredient found in approximately 50 personal care products including make-up and antiperspirant(1).
9.13 Pollution Sources
Propylene carbonate's production and use as a plasticizer(1), in natural gas purification(1), as a chemical intermediate(1), and in lithium batteries(2) may result in its release to the environment through various waste streams(SRC).
9.14 Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 5(SRC), determined from a structure estimation method(2), indicates that propylene carbonate is expected to have very high mobility in soil(SRC). Volatilization of propylene carbonate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.5X10-8 atm-cu m/mole(SRC), based upon its vapor pressure, 0.045 mm Hg(3), and water solubility, 1.75X10+5 mg/L(4). Propylene carbonate is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). A 79% of theoretical BOD using activated sludge in the Japanese MITI test(5) suggests that biodegradation is an important environmental fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 5(SRC), determined from a structure estimation method(2), indicates that propylene carbonate is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 3.5X10-8 atm-cu m/mole(SRC), derived from its vapor pressure, 0.045 mm Hg(4), and water solubility, 1.75X10+5 mg/L(5). Propylene carbonate may undergo hydrolysis in the environment due to functional groups that hydrolyze under environmental conditions(3). According to a classification scheme(6), an estimated BCF of 3(SRC), from its log Kow of -0.41(7) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A 79% of theoretical BOD using activated sludge in the Japanese MITI test(8) suggests that biodegradation is an important environmental fate process in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), propylene carbonate, which has a vapor pressure of 0.045 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase propylene carbonate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 4 days(SRC), calculated from its rate constant of 3.8X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Propylene carbonate contains chromophores that absorb at wavelengths >290 nm(4) and, therefore, may be susceptible to direct photolysis by sunlight(SRC).
9.15 Abiotic Degradation
The rate constant for the vapor-phase reaction of propylene carbonate with photochemically-produced hydroxyl radicals has been estimated as 3.8X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 4 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Propylene carbonate may undergo hydrolysis in the environment because it contains functional groups that hydrolyze under environmental conditions(2). Propylene carbonate contains chromophores that absorb at wavelengths >290 nm(2) and, therefore, may be susceptible to direct photolysis by sunlight(SRC).
9.16 Bioconcentration
An estimated BCF of 3 was calculated in fish for propylene carbonate(SRC), using a log Kow of -0.41(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
9.17 Mobility
Using a structure estimation method based on molecular connectivity indices(1), the Koc of propylene carbonate can be estimated to be 5(SRC). According to a classification scheme(2), this estimated Koc value suggests that propylene carbonate is expected to have very high mobility in soil.
9.18 Volatilization
The Henry's Law constant for propylene carbonate is estimated as 3.5X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.045 mm Hg(1), and water solubility, 1.75X10+5 mg/L(2). This Henry's Law constant indicates that propylene carbonate is expected to be essentially nonvolatile from water and moist soil surfaces(3). Propylene carbonate is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
9.19 Human Exposure
According to the 2012 TSCA Inventory Update Reporting data, 13 reporting facilities estimate the number of persons reasonably likely to be exposed in the manufacturing, processing, or use of propylene carbonate in the United States may be as low as <10 workers up to the range of 100-499 workers per plant; the data may be greatly underestimated due to confidential business information (CBI) or unknown values(1).|NIOSH (NOES Survey 1981-1983) has statistically estimated that 98,025 workers (19,471 of these are female) were potentially exposed to propylene carbonate in the US(1). Occupational exposure to propylene carbonate may occur through inhalation and dermal contact with this compound at workplaces where propylene carbonate is produced or used. Monitoring data indicate that the general population may be exposed to propylene carbonate via dermal contact with consumer products containing propylene carbonate(SRC).
9.20 Absorption
A dermal absorption study using living skin from human donors indicated that propylene carbonate had permeability constants of /average (standard deviation)/ 0.7 (0.4) g/sq m/hr and 0.6 (0.3) cu cm/sq m/hr.
9.21 Antidote
/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/|/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W TKO /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/
9.22 Human Toxicity Excerpts
/HUMAN EXPOSURE STUDIES/ In clinical studies, undiluted propylene carbonate caused moderate skin irritation, whereas 5 and 10% propylene carbonate in aqueous solution produced no skin irritation or sensitization.|/OTHER TOXICITY INFORMATION/ Cosmetic products or gels containing 0.54-20% propylene carbonate were essentially nonsensitizing and, at most, moderately irritating to human skin. Products formulated with 1.51-20% propylene carbonate were generally nonphototoxic and nonphotosensitizing. However, one product containing 20% propylene carbonate may have produced a low level photoallergic reaction in 1 of 25 subjects tested.
9.23 Mesh Entry Terms
cyclic propylene carbonate
9.24 Production
10,000,000 - 50,000,000 lb|1,3-Dioxolan-2-one, 4-methyl- is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).|Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1,3-Dioxolan-2-one, 4-methyl-. National Production Volume: 39,559,833 lb/yr.
9.25 Manufacturing Info
Adhesive manufacturing|1,3-Dioxolan-2-one, 4-methyl-: ACTIVE|Listed as an ingredient found in approximately 50 personal care products including make-up and antiperspirant
9.26 Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern|Cosmetics -> Solvent; Viscosity controlling
9.27 Usage
Propylene carbonate is a polar, aprotic solvent used in paints and coatings and as a high-permittivity component of electrolytes in lithium batteries. It plays an important role in adhesives, paint strippers, cosmetics, plasticizer, hard surface cleaner, resin cleaner, fiberglass, polyester and polyurethane cleaner. Furthermore, it acts as a cleaner in polyurethane, a carburetor and is used in stereo lithography parts. In electrospray ionization mass spectrometry, it is doped into low surface tension solutions to enhance analyte charging.
9.28 BRN
107913
9.29 Propylene Carbonate as Solvent

In the context of Green Chemistry, processes that minimise environmental impact are of great interest at both the industrial and academic levels, and the use of solvents that are innocuous to the environment is also a factor of great interest. Propylene carbonate maybe an appropriate choice. Not only it has a low evaporation rate, low toxicity, and VOC exemption, PC also has other benefits such as:

  • Improves lubricity
  • It is chemically stable
  • Co-firing in any atmosphere without oxidation
  • Excellent viscosity properties and green strength
  • Propylene Carbonate is one of the most eco-efficient alternatives for coating wires
9.30 Chemical Properties
colourless liquid
9.31 Chemical Properties
Propylene carbonate is a clear, colorless, mobile liquid, with a faint odor.
9.32 Uses
Pharmaceutic aid (gelling agent).
9.33 Uses
propylene carbonate is used in chemical reactions as a solvent, plasticizer, solubilizer, or dilutent.
9.34 Uses
Propylene Carbonate is used in the synthesis of solar cells as well as lithium ion batteries.
9.35 Preparation
To a stirred solution of 1,2- propanediol 957 (230 mg, 3.0 mmol) in toluene (8 mL) was added DPC (670 mg, 3.1 mmol). After stirring at 110 ℃ for 1.5 h, the reaction mixture was allowed to cool to room temperature, diluted with dichloromethane (40 mL), washed with brine (30 mL), dried over anhydrous MgSO4, and concentrated to dryness under reduced pressure. The crude product was distilled in vacuo in a kugelrohr apparatus to give 4-methyl-1,3-dioxolan-2-one 958 (254 mg) in 83% yield.
9.36 Production Methods
Propylene carbonate may be prepared by the reaction of sodium bicarbonate with propylene chlorohydrin.
9.37 General Description
Propylene carbonate is a cyclic carbonate commonly used as an organic solvent. Many methods have been reported for its synthesis from propylene oxide and carbon dioxide under different reaction conditions. The dielectric property, relaxation times and viscosity has been studied. It is a potential electrochemical solvent in preparing aprotic battery electrolytes.
10. Computational chemical data
  • Molecular Weight: 102.08864g/mol
  • Molecular Formula: C4H6O3
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 102.031694049
  • Monoisotopic Mass: 102.031694049
  • Complexity: 88.9
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 35.5
  • Heavy Atom Count: 7
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcYBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICCAAABAAIAAAACAAAAAAAAAAAAAAAAAARAAAAAAAgAAAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
11. Question & Answer
  • Propylene carbonate (often abbreviated PC) is an organic compound with the formula CH3C2H3O2CO [1]. It is a polar aprotic substance with very similar physicochemical characteristics to the organic solvents traditionally used for organic synthesis, such as acetonitrile and acetone. Therefore, PC is ...
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13. Realated Product Infomation