Basic information
- CAS
18449-60-0- Standard SMILES
CCC(C)OC(=O)C(C)O- InChIKey
DGHQMSLDUXOQEO-UHFFFAOYSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Names & identifiers
- Preferred name
- Propanoic acid, 2-hydroxy-, 1-methylpropyl ester
- IUPAC
- butan-2-yl 2-hydroxypropanoate
- English name
- D,L-sec-butyl D,L-lactate
- Molecular formula
- C7H14O3
- Molecular weight
- 146.18
Names & synonyms
Propanoic acid, 2-hydroxy-, 1-methylpropyl estersec-butyl lactateDTXSID10864837RefChem:869204DTXCID60813310butan-2-yl 2-hydroxypropanoate18449-60-02-butyl lactate2-Butyl 2-hydroxypropionateD,L-sec-Butyl D,L-lactateEINECS 242-334-1AI3-33998
Show more names
SEC-BUTYLLACTATE2-Hydroxypropionic acid 1-methylpropyl ester
SCHEMBL702238SCHEMBL4679354DGHQMSLDUXOQEO-UHFFFAOYSA-NNS00051771
Database identifiers
- CAS
18449-60-0- PubChem CID
- 86741
- DTXSID
DTXSID10864837- EC Number
- 242-334-1
- Nikkaji
- J266.186A
Properties
Computed structural properties
- XLogP
- 1.2
- 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
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 69 · 69-70 °C(Press: 16 Torr)
- Density
- 1.0047 g/cm3 · 1.0047 g/cm3
- FLAVIS Number
- 9.333 · 09.333 | sec-Butyl lactate
- pka
- 13.04 · 13.04±0.20(Predicted)
- LogP
- 0.824 · 0.824 (est)
- EPA Substance Registry System
- 2 · Propanoic acid, 2-hydroxy-, 1-methylpropyl ester (18449-60-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Propanoic acid, 2-hydroxy-, 1-methylpropyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2-hydroxy-, 1-methylpropyl ester: INACTIVE
Suppliers1 total
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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