Basic information
- Name:
Methyl (R)-(-)-3-hydroxybutyrate
- CAS No.:
3976-69-0
- Molecular Structure:

- Formula:
- C5H10O3
- Molecular Weight:
- 118.13
- Synonyms:
- Methyl (3R)-3-hydroxybutanoate;(R)- (-)-3-Hydroxybutyric acid methyl ester;Methyl (R)-3-Hydroxybutyrate;
- EINECS:
- 223-610-0
- Density:
- 1.05 g/cm3
- Boiling Point:
- 161.9 °C at 760 mmHg
- Flash Point:
- 71.7 °C
- Appearance:
- clear colorless liquid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36/37-24/25-23 Details
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Chemistry
Molecular Structure of Methyl (R)-(-)-3-hydroxybutyrate (CAS NO.3976-69-0):
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IUPAC Name: Methyl (3R)-3-hydroxybutanoate
Molecular Formula: C5H10O3
Molecular Weight: 118.13
EINECS: 223-610-0
XLogP3-AA: -0.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Storage temp.: 0-6 °C
Index of Refraction: 1.42
Molar Refractivity: 28.48 cm3
Molar Volume: 112.4 cm3
Surface Tension: 33.2 dyne/cm
Density: 1.05 g/cm3
Flash Point: 71.7 °C
Enthalpy of Vaporization: 46.4 kJ/mol
Boiling Point: 161.9 °C at 760 mmHg
Vapour Pressure: 0.768 mmHg at 25 °C
Appearance: clear colorless liquid
Canonical SMILES: CC(CC(=O)OC)O
Isomeric SMILES: C[C@H](CC(=O)OC)O
InChI: InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1
InChIKey: LDLDJEAVRNAEBW-SCSAIBSYSA-N
Product Categories: Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds; Building Blocks for Liquid Crystals; Chiral Building Blocks; Chiral Compounds (Building Blocks for Liquid Crystals); Functional Materials; Simple Alcohols (Chiral); Synthetic Organic Chemistry; Chiral Building Blocks; Esters; Organic Building Blocks; Chiral Alcohols
Safety Profile
Safety Information of Methyl (R)-(-)-3-hydroxybutyrate (CAS NO.3976-69-0):
Hazard Codes:
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37-24/25-23
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
S24/25:Avoid contact with skin and eyes.
S23:Do not breathe vapour.
WGK Germany: 3
Specification
Methyl (R)-(-)-3-hydroxybutyrate (CAS NO.3976-69-0), its Synonyms are (R)-(-)-3-Hydroxybutyric acid methyl ester ; Methyl (3R)-3-hydroxybutanoate ; Methyl R-3-hydroxybutanoate ; Methyl 3-hydroxybutanoate .

