Basic information
- CAS
14287-61-7- Standard SMILES
CC(C)C(C)C(=O)O- InChIKey
XFOASZQZPWEJAA-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- 2,3-Dimethylbutanoic acid
- IUPAC
- 2,3-dimethylbutanoic acid
- English name
- 2,3,3-Trimethylpropionic acid
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
2,3-dimethylbutanoic acid14287-61-72,3-DIMETHYLBUTYRIC ACID2,3-methylbutanoic acidButanoic acid, 2,3-dimethyl-AOH0HXV1UJEINECS 238-208-0alpha,beta-dimethylbutanoic acidCHEBI:38650DTXSID708712292,3-DIMETHYL-BUTANOIC ACIDRefChem:442525
Show more names
2-METHYLISOVALERIC ACIDButyricacid,2,3-dimethyl-Butanoicacid,2,3-dimethyl-isopropylmethylacetic acidMETHYLISOPROPYLACETIC ACID2-METHYLISOVALERIC ACID 98%
DTXCID00818900(+-)-2,3-DIMETHYLBUTANOIC ACID238-208-0MFCD000458882,3,3-TRIMETHYLPROPIONIC ACID22160-11-82,3-dimethyl-butyric acid(1)-2,3-Dimethylbutyric acid
Database identifiers
- CAS
14287-61-7、22160-11-8- PubChem CID
- 26608
- DTXSID
DTXSID70871229- ChEBI
CHEBI:38650- UNII
- AOH0HXV1UJ
- EC Number
- 238-208-0、244-813-0
- Nikkaji
- J216.939H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86
Experimental & physicochemical properties
Kovats Retention Index874
Physicochemical properties
- Melting point
- -0.8 °C · -0.8°C
- Boiling point
- 189.82 °C · 189.82°C (estimate)
- Density
- 0.9275 · 0.9275
- refractive index
- 1.4146 · 1.4146
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Methanol (Sparingly)
- form
- Oil
- pka
- 4.81 · 4.81±0.11(Predicted)
- color
- Colourless to Pale Yellow
- optical activity
- Consistent with structure
- FDA UNII
- 0 HXV1UJ · AOH0HXV1UJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2,3-Dimethylbutanoic Acid is a general chemical reactant used in various organic syntheses. Used in the synthesis of antiallodynic and anticonvulsant activity of amide amide and urea derivatives.
Upstream & downstream products
Downstream products
Suppliers48 total
上海康恩博医药科技有限公司17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Related reactions
2 records
Compound notes
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