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Home> Hot Product Listed B   > Butanedioic acid, 2,3-dihydroxy-, (2S,3S)-

Butanedioic acid, 2,3-dihydroxy-, (2S,3S)-

CAS No.:147-71-7
EINECS(EC#):205-695-6
Molecular Weight:150.09
Molecular Formula:C4H6O6 (Products with the same molecular formula)
MOL File:147-71-7.mol
Names and Identifiers
Synonyms

(-)-D-Tartaric acidButanedioic acid, 2,3-dihydroxy-, (2S,3S)-(-)-(S,S)-Tartaric acid(2S,3S)-(-)-Tartaric acid(S,S)-(-)-Tartaric acid

Inchi
InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
InChkey
FEWJPZIEWOKRBE-JCYAYHJZSA-N
Canonical Smiles
C(C(C(=O)O)O)(C(=O)O)O
Properties
Appearance
white crystals
Density
1.76
Melting Point
166-170℃
Boiling Point
399.3°Cat760mmHg
Vapour
4.93E-08mmHg at 25°C
Refractive Index
-12.5 ° (C=5, H2O)
Flash Point
210℃
Alpha
-12.1 o (C=20, H2O)
Water
1394 g/L (20℃)
Solubilities
1394 g/L (20 oC)
Color/Form
COLORLESS CRYSTALS OR WHITE, CRYSTALLINE POWDER
SLIGHTLY OPAQUE CRYSTALS
Stability
Stable. Incompatible with oxidizing agents, bases, reducing agents. Combustible.
HS Code
29181200
Storage temp
Store in a cool, dry place. Store in a tightly closed container.
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
Hazard Note

Light Sensitive

Sensitive
Light Sensitive
Formulations/Preparations
THIS SALT IS ONE OF THE INGREDIENTS IN COMPD JALAP POWDER, FORMERLY IN THE NF.
SALT IS @ LEAST 99.5% PURE.
GRADES: TECHNICAL; NF; FCC.
Exposure Standards and Regulations
121.101; LIMITATIONS: GRAS, MISCELLANEOUS AND/OR GENERAL-PURPOSE FOOD ADDITIVE AND AS A SEQUESTRANT.
Specification

The D-Tartaric acid, with the cas registry number 147-71-7, has the IUPAC name of (2S,3S)-2,3-dihydroxybutanedioic acid. This is a kind of white crystals, and it is sensitive to light. Besides, it is stable chemically and is incompatible with oxidizing agents, bases, reducing agents. In addition, its product categories are various, including FINE Chemical & INTERMEDIATES; Chiral Compounds; Carboxylic Acids (Chiral); Chiral Building Blocks; for Resolution of Bases; Optical Resolution; Synthetic Organic Chemistry; Chiral chemicals.

The characteristics of this chemical are as follows: (1)ACD/LogP: -1.43; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 71.06; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 26.69 cm3; (13)Molar Volume: 79.5 cm3; (14)Polarizability: 10.58 ×10-24 cm3; (15)Surface Tension: 119.4 dyne/cm; (16)Density: 1.886 g/cm3; (17)Flash Point: 209.4 °C; (18)Enthalpy of Vaporization: 75.13 kJ/mol; (19)Boiling Point: 399.3 °C at 760 mmHg; (20)Vapour Pressure: 4.93E-08 mmHg at 25°C; (21)Exact Mass: 150.016438; (22)MonoIsotopic Mass: 150.016438; (23)Topological Polar Surface Area: 115; (24)Heavy Atom Count: 10; (25)Formal Charge: 0; (26)Complexity: 134.

D-Tartaric acid is mainly present in the form of potassium salt in a variety of plants, fruits. There also a small amount present in free species. In the field of practical application of tartaric acid, they usually mainly use the L(+)tartaric acid or its salts. The industrial way to get L(+)tartaric acid is through fermentation of glucose; raceme fumaric acid can be obtained with the potassium permanganate oxidation.

As to its usage, it is usually applied in many ways. It could be used as colour spectrum analysis reagent and screening agent; It could also used as pharmaceutic resolving agent, food additives, biochemical reagents; It is widely used in food industry, such as beer foaming agent, food acidity regulations, Flavoring agent and also in soft drink, sweet, fruit juice, ferment powder and others.

When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. Being a kind of irritant chemical to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(C(C(=O)O)O)(C(=O)O)O
(2)Isomeric SMILES: [C@H]([C@@H](C(=O)O)O)(C(=O)O)O
(3)InChI: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
(4)InChIKey: FEWJPZIEWOKRBE-LWMBPPNESA-N

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  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
CU Chemie Uetikon GmbH 2016
more >
MSDS

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SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name D-tartaric acid

1.2 Other means of identification

Product number -
Other names D-Threaric acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

Company WWW.GuideChem.COM
Address 8F, Block C, No.3 Building, Zijin Plaza, No.701, Gudun Road, Hangzhou, Zhejiang 310030, China
Telephone +86-571-89739798
Fax 86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-571-89739798
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

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

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.

P310 Immediately call a POISON CENTER/doctor/\u2026

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
D-tartaric acid D-tartaric acid 147-71-7 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

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

no data available

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

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, powder, foam, carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

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

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. 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

Store in cool place. 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 crystals
Colour no data available
Odour no data available
Melting point/ freezing point -34\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 209\u00b0C(lit.)
Flammability Combustible.
Lower and upper explosion limit / flammability limit no data available
Flash point 82\u00b0C(lit.)
Auto-ignition temperature 425\u00b0C
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility no data available
Partition coefficient n-octanol/water (log value) -0.76 (calculated)
Vapour pressure 4.93E-08mmHg at 25\u00b0C
Density and/or relative density 1.76
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

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • 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: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

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: UN3265 IMDG: UN3265 IATA: UN3265

14.2 UN Proper Shipping Name

ADR/RID: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
IMDG: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
IATA: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 8 IMDG: 8 IATA: 8

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

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
D-tartaric acid D-tartaric acid 147-71-7 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 10, 2017
Revision Date Aug 10, 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:150.08684 [g/mol]
Molecular Formula:C4H6O6
XLogP3-AA:-1.9
H-Bond Donor:4
H-Bond Acceptor:6
Rotatable Bond Count:3
Exact Mass:150.016438
MonoIsotopic Mass:150.016438
Topological Polar Surface Area:115
Heavy Atom Count:10
Formal Charge:0
Complexity:134
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Donor Count:2
Feature 3D Anion Count:2
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:18

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