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Methyl (R)-(-)-3-hydroxybutyrate

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Name

Methyl (R)-(-)-3-hydroxybutyrate

EINECS 223-610-0
CAS No. 3976-69-0 Density 1.05 g/cm3
Solubility Melting Point
Formula C5H10O3 Boiling Point 161.9 °C at 760 mmHg
Molecular Weight 118.13 Flash Point 71.7 °C
Transport Information Appearance clear colorless liquid
Safety 26-36/37-24/25-23 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3976-69-0 (Methyl (R)-(-)-3-hydroxybutyrate) Hazard Symbols IrritantXi
Synonyms

Methyl (3R)-3-hydroxybutanoate;(R)- (-)-3-Hydroxybutyric acid methyl ester;Methyl (R)-3-Hydroxybutyrate;

 

Methyl (R)-(-)-3-hydroxybutyrate Chemical Properties

Molecular Structure of Methyl (R)-(-)-3-hydroxybutyrate (CAS NO.3976-69-0):

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

Methyl (R)-(-)-3-hydroxybutyrate Safety Profile

Safety Information of Methyl (R)-(-)-3-hydroxybutyrate (CAS NO.3976-69-0):
Hazard Codes: IrritantXi
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

Methyl (R)-(-)-3-hydroxybutyrate 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 .

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