CAS 13545-04-5 2,3-Dimethylsuccinic acid (HCID 11848)

Names & identifiers

Preferred name: 2,3-Dimethylsuccinic acid
IUPAC: 2,3-dimethylbutanedioic acid
English name: 2,3-Dimethylsuccinic acid
Molecular formula: C6H10O4
Molecular weight: 146.14

Names & synonyms

2,3-Dimethylsuccinic acid13545-04-5CHEBI:167506RefChem:908663236-915-92,3-dimethylbutanedioic acid2,3-Butanedicarboxylic acidSuccinic acid, 2,3-dimethyl-Butanedioic acid, 2,3-dimethyl-MFCD00002657608-39-9(-)-2,3-Dimethylbutanedioic acid

Show more names

2,3-Dimethylsuccinic acid >=99%alpha,beta-Dimethylsuccinic acidALPHA,ALPHA'-DIMETHYLSUCCINIC ACID2,3-Dimethylsuccinic acid, mixture of DL and meso2,3-Dimethylsuccinic acid,99%,mixture of DL and meso

EINECS 236-915-9.alpha.,.beta.-Dimethylsuccinic acidSuccinic acid,3-dimethyl-, meso-meso-2,3-Dimethyl-butanedioic acidNSC 400523trans-2,3-Dimethylsuccinic acid(2r,3r)-2,3-dimethylsuccinic acid57694-62-9

Database identifiers

CAS: 13545-04-5、57694-62-9、608-39-9、608-40-2
PubChem CID: 11848
DTXSID: DTXSID40871958
ChEBI: CHEBI:167506
EC Number: 236-915-9
Nikkaji: J8.124H

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 134

Physicochemical properties

Melting point: 118 · 118-122 °C
Boiling point: 311.39 °C · 311.39°C (rough estimate)
Density: 1.4528 · 1.4528 (rough estimate)
refractive index: 1.4328 · 1.4328 (estimate)
storage temp.: 2 · Storage temp. 2-8°C
pka: 3.94 · 3.94±0.10(Predicted)
form: powder
Appearance: White to off-white Solid
Water Solubility: 30 g/L · 30g/L(14 ºC)
BRN: 1723932 · 1723932
InChI: 1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
InChIKey: KLZYRCVPDWTZLH-UHFFFAOYSA-N
SMILES: CC(C(C)C(O)=O)C(O)=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 29171990 · 29171990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29171990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2,3-Dimethylsuccinic acid is a useful research chemical.

Suppliers39 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Syntechem Co.,Ltd[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 2,3-dimethylsuccinic acid is an alpha,omega-dicarboxylic acid that is succinic acid substituted by two methyl groups at positions 2 and 3 respectively. It has a role as a chelator. It is functionally related to a succinic acid. It is a conjugate acid of a 2,3-dimethylsuccinate(2-).