Basic information
- CAS
60665-94-3- Standard SMILES
CCC(O)C(C)C(=O)OC- InChIKey
DPSANHWICFQPHY-UHFFFAOYSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.09429431
Names & identifiers
- Preferred name
- Methyl 3-hydroxy-2-methylpentanoate
- IUPAC
- methyl 3-hydroxy-2-methylpentanoate
- English name
- Pentanoic acid, 3-hydroxy-2-methyl-, methyl ester
- Molecular formula
- C7H14O3
- Molecular weight
- 146.18426
Names & synonyms
Methyl 3-hydroxy-2-methylpentanoate60665-94-3DTXSID80338070RefChem:355035DTXCID60289157Pentanoic acid, 3-hydroxy-2-methyl-, methyl estermethyl 2-methyl-3-ethyl-3-hydroxypropionateSCHEMBL8017417Methyl3-hydroxy-2-methylpentanoateKCA66594methyl 2-methyl-3-hydroxypentanoateAKOS011681303
Show more names
Methyl 3-hydroxy-2-methylpentanoate #DB-3606953-hydroxy-2-methyl-pentanoic acid methyl esterEN300-250643Z982132706
Database identifiers
- CAS
60665-94-3- PubChem CID
- 546129
- DTXSID
DTXSID80338070- Nikkaji
- J876.789K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
Related reactions
4 records
Compound notes
Loading…