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Home> Hot Product Listed P   > Propylparaben

Propylparaben

CAS No.:94-13-3
EINECS(EC#):202-307-7
Molecular Weight:180.2
Molecular Formula:C10H12O3 (Products with the same molecular formula)
MOL File:94-13-3.mol
Properties
Appearance
white crystalline powder
Density
1.134 g/cm3
Melting Point
95-99℃
Boiling Point
133℃
Refractive Index
1.5050
Flash Point
124.6 °C
Water
<0.1 g/100 mL at 12 ºC
Solubilities
<0.1 g/100 mL at 12 oC
Color/Form
White crystals
Prisms from ether
Stability
Stable. Incompatible with strong oxidizing agents, strong bases.
HS Code
29182930
Storage temp
0-6°C
Spectral properties
MAX ABSORPTION (ALC): 257 NM (LOG E= 3.21); SADTLER REFERENCE NUMBER: 18051 (IR, PRISM); 371 (IR, GRATING)
Index of refraction: 1.5050 at 102 deg C/D
MASS: 22198 (NIST/EPA/MSDC Mass Spectral Database, 1990 Version); 196 (Aldermaston, Eight Peak Index of Mass Spectra, UK)
IR: 1579 (Coblentz Society Spectral Collection)
UV: 971 (Sadtler Research Laboratories Spectral Collection)
NMR: 1213 (Sadtler Research Laboratories Spectral Collection)
Safety and Handling
Hazard Codes
Xi: Irritant;
Risk Statements
R36/37/38
Safety Statements
S24/25
Safety

Poison by intraperitoneal route. Moderately toxic by subcutaneous route. Mildly toxic by ingestion. An allergen. When heated to decomposition it emits acrid smoke and fumes.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.??
Safety Statements: 26-24/25-36
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
24/25:? Avoid contact with skin and eyes?
36:? Wear suitable protective clothing??
WGK Germany: 1
RTECS: DH2800000
HS Code: 29182930

PackingGroup
Z01
Skin, Eye, and Respiratory Irritations
... AS SATURATED AQUEOUS SOLN HAS BEEN NOTED TO BE MODERATELY IRRITATING TO THE EYE.
Transport
无资料?
Formulations/Preparations
USEPA/OPP Pesticide Code 061203; Trade Names: Propyl chemsept, Chemacide PK.
Grade: United States Pharmacopeia, "Food Chemical Codex"
Trade Names: Aseptoform P, Betacide P, Betacine P, Bonomold OP, Chemacide pk, Chemocide pk, Nipagin P, Nipasol, Nipasol M, Nipasol P, Nipazol, Paraben, Parasept, Paseptol, Preserval P, Propagin, Propyl aseptoform, Propyl butex, Propyl chemosept, Propyl chemsept, Propyl parasept, Protaben P, Pulvis conservans, Solbrol P, and Tegosept P.
Exposure Standards and Regulations
Propylparaben is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.
Other Preventative Measures
Since these mixtures are very alkaline, they should be handled carefully in accordance with standard procedure for such a product. /Parabens salts/
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit 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.
Protective Equipment and Clothing
... AS SATURATED AQUEOUS SOLN HAS BEEN NOTED TO BE MODERATELY IRRITATING TO THE EYE.
Specification

?Propylparaben , its cas register number is 94-13-3. It also can be called Propyl paraben ; Propyl p-hydroxybenzoate ; Propyl 4-hydroxybenzoate ; Propyl Butex ; Propyl Chemosept ; 4-Hydroxybenzoic acid propyl ester ; and p-Hydroxybenzoic acid propyl ester . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, Propylparaben (CAS NO.94-13-3) is not compatible with strong oxidizing agents, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide.

Octanol/Water Partition Coefficient
log Kow = 3.04
Report

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Disposal Methods
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.
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Clariant Produkte (Deutschland) GmbH 2013
Dr. Knoell Consult - OR - E9 2014
SCAS Europe S.A./N.V. 2013
more >
MSDS

Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name propylparaben

1.2 Other means of identification

Product number -
Other names Nipazol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food Additives: PRESERVATIVE
Uses advised against no data available

1.4 Supplier's details

Company XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
propylparaben propylparaben 94-13-3 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: Symptoms of exposure to this compound may include eye and respiratory irritation, allergies and respiratory diseases. Prolonged or repeated skin exposure may result in irritation. It may also cause contact dermatitis. ACUTE/CHRONIC HAZARDS: This compound will cause skin irritation on prolonged or repeated contact. It may also cause eye irritation. Inhalation of the concentrated dust could cause mild respiratory irritation. When heated to decomposition it emits acrid smoke, phenolic vapors, carbon dioxide and carbon monoxide.

4.3 Indication of immediate medical attention and special treatment needed, if necessary

First step in treatment is to eliminate contact with parabens, a difficult task since they are so widely used ... Presence is often not indicated on label.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

Flash point data for this chemical are not available; however, it is probably combustible.

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up: Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

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

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. 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. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state white crystalline powder
Colour White crystals
Odour Odorless or has faint odor
Melting point/ freezing point 271\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 148\u00b0C/12mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 71\u00b0C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility less than 1 mg/mL at 12.22\u00b0C
Partition coefficient n-octanol/water (log value) log Kow = 3.04
Vapour pressure 3.07X10-4 mm Hg at 25\u00b0C (est)
Density and/or relative density 1.134 g/cm3
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

Maximum stability of PROPYL-4-HYDROXYBENZOATE occurs at a pH of 4 to 5. Incompatible with alkalis and iron salts. Also incompatible with strong oxidizing agents and strong acids .

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Incompatible materials: Strong oxidizing agents, strong bases.

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 6.0 g/kg /From table/
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water flea); Conditions: freshwater, static, pH 7.6-7.7, dissolved oxygen 100% saturated; Concentration: 27500 ug/L for 24 hr (95% confidence interval: 20300-45800 ug/L); Effect: intoxication, immobilization /formulation
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Using a Zahn-Wellens test(2), which requires a 0.2 - 1.0 g/L dry inolculum and 50-400 dissolved organic carbon/L test concentration(1), analogous methylparaben degraded 100% after 6 days with a 2 day acclimation period in a sludge inoculum(2), suggesting that propylparaben may be subject to biodegradation(SRC). Average concentrations of 2.9, 0.21, 0.72 and 0.11 ng/L were reported for propylparaben in gray water from 32 residences and associated effluent from aerobic, anaerobic and anaerobic+aerobic biological treatment systems, respectively. Testing was done in August, 2008 in Sneek, The Netherlands. Propylparaben removal was postulated to be a combination of adsorption and biodegradation, with a 92.8% removal observed using aerobic treatment(3). Propylparaben, present at an average concentration of 1400 ng/L, exhibited half-lives of 2.7 days and 20.3 hours using an activated sludge batch test and a real wastewater treatment plant test, respectively; sampling was conducted during April and May 2010 in a metropolitan area of northwest Spain(4).

12.3 Bioaccumulative potential

An estimated BCF of 50 was calculated for propylparaben(SRC), using a log Kow of 3.04(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of propylparaben can be estimated to be 290(SRC). According to a classification scheme(2), this estimated Koc value suggests that propylparaben is expected to have moderate mobility in soil. The estimated pKa of propylparaben is 8.5(3), indicating that this compound will exist partially in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN3399 IMDG: UN3399 IATA: UN3399

14.2 UN Proper Shipping Name

ADR/RID: ORGANOMETALLIC SUBSTANCE, LIQUID, WATER- REACTIVE, FLAMMABLE
IMDG: ORGANOMETALLIC SUBSTANCE, LIQUID, WATER- REACTIVE, FLAMMABLE
IATA: ORGANOMETALLIC SUBSTANCE, LIQUID, WATER- REACTIVE, FLAMMABLE

14.3 Transport hazard class(es)

ADR/RID: 4.3 IMDG: 4.3 IATA: 4.3

14.4 Packing group, if applicable

ADR/RID: I IMDG: I IATA: I

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
propylparaben propylparaben 94-13-3 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

Precursor and Product
Computational chemical data

Molecular Weight:180.20048 [g/mol]
Molecular Formula:C10H12O3
XLogP3:3
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:4
Tautomer Count:4
Exact Mass:180.078644
MonoIsotopic Mass:180.078644
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Formal Charge:0
Complexity:160
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:24