Basic information
- CAS
63697-00-7- Standard SMILES
CC(C)OC(=O)[C@H](C)O- InChIKey
KIWATKANDHUUOB-YFKPBYRVSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Overview
(S)-Isopropyl lactate is a carboxylic ester.
Names & identifiers
- Preferred name
- Propanoic acid, 2-hydroxy-, 1-methylethyl ester, (2S)-
- IUPAC
- propan-2-yl (2S)-2-hydroxypropanoate
- English name
- Isopropyl (S)-(-)-lactate
- Molecular formula
- C6H12O3
- Molecular weight
- 132.16
Names & synonyms
63697-00-7Propanoic acid, 2-hydroxy-, 1-methylethyl ester, (2S)-Isopropyl S-(-)-lactateEINECS 264-417-1DTXSID90886638RefChem:869203DTXCID2010259621-Methylethyl (2S)-2-hydroxypropanoate264-417-1Isopropyl (S)-2-hydroxypropanoatepropan-2-yl (2S)-2-hydroxypropanoate(S)-Isopropyl lactate
Show more names
ISOPROPYL LACTATE(S)-Isobutyl lactateISOPROPYL-(R)-LACTATEISOPROPYL-(S)-LACTATE(-)-ISOPROPYL L-LACTATEIsopropyl (S)-(-)-lactateIsopropyl (S)-(-)-lactate,99%
(2S)-2-hydroxypropanoic acid propan-2-yl esterIsopropyl L-lactate(S)-isopropyl 2-hydroxypropanoateL-Isopropyl LactatePURASOLV(R) IPLL-ISOPROPYLLACTATEchiral grade isopropyl lactateorb3021432
Database identifiers
- CAS
63697-00-7- PubChem CID
- 94609
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98.5
Experimental & physicochemical properties
SpringerMaterials PropertiesPhase diagram
Physicochemical properties
- Melting point
- 1 °C · 1 °C
- Boiling point
- 166 · 166-168 °C(lit.)
- Density
- 0.988 g/mL · 0.988 g/mL at 25 °C(lit.)
- vapor density
- 4.2 · 4.2 (vs air)
- refractive index
- 20 · n20/D 1.411(lit.)
- Flash point
- 135 °F · 135 °F
- pka
- 13.27 · 13.27±0.20(Predicted)
- LogP
- 0.314 · 0.314 (est)
- EPA Substance Registry System
- 2 · Propanoic acid, 2-hydroxy-, 1-methylethyl ester, (2S)- (63697-00-7)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Hazard Codes
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Isopropyl S-(-)-lactate (EC: 264-417-1)
Isopropyl S-(-)-lactate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29181100
- risk_code
- 66-41-37
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi
- safety_code
- 23-24/25
- hazard_class
- 3.2
- packing_group
- III
- Hazard statements
- H226
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2-hydroxy-, 1-methylethyl ester, (2S)-: ACTIVE
Suppliers31 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
杭州杰恒化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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