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CAS No.: | 83145-58-8 |
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Name: | 4-(acetyloxy)hex-5-enoic acid |
Molecular Structure: | |
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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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
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 . |
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.
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)- .