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10024-70-1

Basic Information
CAS No.: 10024-70-1
Name: 3-methoxybutyric acid
Article Data: 14
Molecular Structure:
Molecular Structure of 10024-70-1 (3-methoxybutyric acid)
Formula: C5H10 O3
Molecular Weight: 118.133
Synonyms: Butyricacid, 3-methoxy- (6CI,8CI); 3-Methoxybutanoic acid; 3-Methoxybutyric acid; NSC2145
Density: 1.05g/cm3
Melting Point: 12°C
Boiling Point: 193.8°Cat760mmHg
Flash Point: 78.6°C
Safety: Moderately toxic by ingestion. A skin and severe eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 46.53000
LogP: 0.49600
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Chemistry

Empirical Formula of 3-Methoxybutyric acid (CAS NO.10024-70-1): C5H10O3
Molecular Weight: 118.1311 
EINECS: 233-028-9
Index of Refraction: 1.42
Density: 1.05 g/cm3
Flash Point: 78.6 °C
Enthalpy of Vaporization: 47.4 kJ/mol
Boiling Point: 193.8 °C at 760 mmHg
Vapour Pressure: 0.198 mmHg at 25 °C
Structure of 3-Methoxybutyric acid (CAS NO.10024-70-1):
                       
IUPAC Name: 3-Methoxybutanoic acid
Canonical SMILES: CC(CC(=O)O)OC
InChI: InChI=1S/C5H10O3/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey: MXJDPWXQIVDAPH-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 10 mg/24H open MLD

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.
2.    

eye-rbt 750 µg open SEV

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.
3.    

orl-rat LD50:3030 mg/kg

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.

Safety Profile

Moderately toxic by ingestion. A skin and severe eye irritant. When heated to decomposition 3-Methoxybutyric acid (CAS NO.10024-70-1) emits acrid smoke and irritating fumes.

Specification

 3-Methoxybutyric acid , its cas register number is 10024-70-1. It also can be called 3-Methoxy butanoic acid ; 3-Methoxybutanoic acid ; Kyselina 3-methoxymaselna ; and Butanoic acid, 3-methoxy- .