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83145-58-8

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Basic Information
CAS No.: 83145-58-8
Name: 4-(acetyloxy)hex-5-enoic acid
Molecular Structure:
Molecular Structure of 83145-58-8 (4-(acetyloxy)hex-5-enoic acid)
Formula: C8H12O4
Molecular Weight: 172.181
Density: 1.116g/cm3
Boiling Point: 294.1°Cat760mmHg
Flash Point: 116.3°C
Hazard Symbols: Moderately toxic by ingestion and skin contact. A mild skin and severe eye irritant.
Safety: Moderately toxic by ingestion and skin contact. A mild skin and severe eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
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Chemistry

The Molecular Structure of 4(or 6)-(Acetyloxy)-5(or 4)-hexenoic acid (CAS NO.83145-58-8):

Molecular Formula: C8H12O4
Molecular Weight: 172.178480 g/mol
IUPAC: 4-acetyloxyhex-5-enoic acid
Index of Refraction: 1.458
Molar Refractivity: 42.13 cm3
Molar Volume: 154.1cm3
Surface Tension: 38.2 dyne/cm
Density: 1.116 g/cm3
Flash Point: 116.3 °C
Enthalpy of Vaporization: 58.72 kJ/mol
Boiling Point: 294.1 °C at 760 mmHg
Vapour Pressure: 0.000404 mmHg at 25°C
InChI
InChI=1/C8H12O4/c1-3-7(12-6(2)9)4-5-8(10)11/h3,7H,1,4-5H2,2H3,(H,10,11)
Smiles
C(CC[C@@H](C=C)OC(=O)C)(=O)O 
Classification Code: Skin / Eye Irritant

Toxicity Data With Reference

1.    

skn-rbt 500 µL/24H MLD

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0545618 .
2.    

eye-rbt 100 µL/24H SEV

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0545618 .
3.    

orl-rat LD50:543 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0545618 .
4.    

skn-rbt LD50:3103 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0545618 .

Safety Profile

Moderately toxic by ingestion and skin contact. A mild skin and severe eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 4(or 6)-(Acetyloxy)-5(or 4)-hexenoic acid (CAS NO.83145-58-8) is also called as  CP 96320 ; NCD-1001 ; 5(or 4)-Hexenoic acid, 4(or 6)-(acetyloxy)- ; 5-Hexenoic acid, 4-(acetyloxy)- .