Basic information
- Name:
Propanoic acid,2-hydroxy-, butyl ester, (2S)-
- Superlist Name:
- Butyl (2S)-2-hydroxypropanoate
- CAS No.:
34451-19-9
- Molecular Structure:
- Formula:
- C7H14O3
- Molecular Weight:
- 146.18
- Synonyms:
- Propanoicacid, 2-hydroxy-, butyl ester, (S)-;(+)-Butyl lactate;(+)-n-Butyl lactate;(S)-(+)-Butyl lactate;(S)-n-Butyl lactate;Butyl L-(+)-lactate;L-Lactic acidn-butyl ester;Lactic acid, n-butyl ester, (S);
- EINECS:
- 252-036-3
- Density:
- 1.005 g/cm3
- Melting Point:
- - 28 °C(lit.)
- Boiling Point:
- 189.4 °C at 760 mmHg
- Flash Point:
- 71 °C
- Appearance:
- Colorless liquid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Specification
The Propanoic acid,2-hydroxy-, butyl ester, (2S)- with CAS registry number of 34451-19-9 is also known as Butyl L-(+)-lactate. The IUPAC name is Butyl (2S)-2-hydroxypropanoate. It belongs to product categories of Chiral Building Blocks; Esters; Organic Building Blocks. Its EINECS registry number is 252-036-3. In addition, the formula is C7H14O3 and the molecular weight is 146.18. This chemical is a colorless liquid that may cause inflammation to the skin or other mucous membranes. Besides, it should be sealed in cool, dry place away from oxidants.
Physical properties about Propanoic acid,2-hydroxy-, butyl ester, (2S)- are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Index of Refraction: 1.432; (7)Molar Refractivity: 37.74 cm3; (8)Molar Volume: 145.4 cm3; (9)Surface Tension: 33.3 dyne/cm; (10)Density: 1.005 g/cm3; (11)Flash Point: 71 °C; (12)Enthalpy of Vaporization: 49.53 kJ/mol; (13)Boiling Point: 189.4 °C at 760 mmHg; (14)Vapour Pressure: 0.156 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCOC(=O)C(C)O
2. Isomeric SMILES: CCCCOC(=O)[C@H](C)O
3. InChI: InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3/t6-/m0/s1
4. InChIKey: MRABAEUHTLLEML-LURJTMIESA-N