Acetic acid, 2-isopropyl-5-methyl-2-hexen-1-yl ester supplier

Name
2-isopropyl-5-methylhex-2-enyl acetate
EINECS
CAS No. 40853-56-3
Density 0.884g/cm³
Solubility
Melting Point
Formula C12H22 O2
Boiling Point 245.1°Cat760mmHg
Molecular Weight 198.305
Flash Point 79°C
Transport Information
Appearance
Safety A skin irritant. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Hexen-1-ol,2-isopropyl-5-methyl-, acetate (6CI); 2-Hexen-1-ol,5-methyl-2-(1-methylethyl)-, acetate (9CI); 2-Isopropyl-5-methyl-2-hexen-1-ylacetate; 2-Isopropyl-5-methylhex-2-enyl acetate
PSA 26.30000
LogP 3.17800

Acetic acid, 2-isopropyl-5-methyl-2-hexen-1-yl ester Chemical Properties

Molecular Formula: C₁₂H₂₂O₂
Molecular Weight: 198.301880 g/mol
The Molecular Structure of Acetic acid, 2-isopropyl-5-methyl-2-hexen-1-yl ester (CAS NO.40853-56-3):
Classification: Skin / Eye Irritant
Density: 0.884 g/cm₃
Flash Point: 79 °C
Enthalpy of Vaporization: 48.22 kJ/mol
Boiling Point: 245.1 °C at 760 mmHg
Vapour Pressure: 0.0293 mmHg at 25°C
IUPAC: [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate
Nominal Mass: 198 Da
Average Mass: 198.3019 Da
Monoisotopic Mass: 198.16198 Da
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.36
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 5.5): 1208.28
ACD/BCF (pH 7.4): 1208.28
ACD/KOC (pH 5.5): 5595.2
ACD/KOC (pH 7.4): 5595.2
Polar Surface Area: 26.3Å²
Index of Refraction: 1.441
Molar Refractivity: 59.23 cm³
Molar Volume: 224.2 cm³
Surface Tension: 27.2 dyne/cm
InChI: InChI=1/C12H22O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h7,9-10H,6,8H2,1-5H3/b12-7+
Smiles: C(=C/CC(C)C)(\COC(C)=O)C(C)C

Acetic acid, 2-isopropyl-5-methyl-2-hexen-1-yl ester Toxicity Data With Reference

skn-rbt 500 mg/24H MLD

FCTXAV Food and Cosmetics Toxicology. 14 (1976),307.

Acetic acid, 2-isopropyl-5-methyl-2-hexen-1-yl ester Safety Profile

A skin irritant. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.

Acetic acid, 2-isopropyl-5-methyl-2-hexen-1-yl ester Specification

Acetic acid, 2-isopropyl-5-methyl-2-hexen-1-yl ester (CAS NO.40853-56-3) is also called as 2-Hexen-1-ol, 2-isopropyl-5-methyl-, acetate 2-Isopropyl-5-methyl-2-hexen-1-yl acetate ; 2-Isopropyl-5-methyl-2-hexene-1-yl acetate ; 4-02-00-00196 (Beilstein Handbook Reference) 4-Hexen-1-ol, 5-methyl-2-(1-methylethylidene)-, acetate, dihydro deriv ; 5-Methyl-2-(1-methylethyl)-2-hexen-1-yl acetate ; BRN 1770843 ; EINECS 255-114-5 ; Isodihydro lavandulyl acetate ; 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, acetate ; 2-Isopropyl-5-methylhex-2-enyl acetate .

Product Name

2-isopropyl-5-methylhex-2-enyl acetate

Acetic acid, 2-isopropyl-5-methyl-2-hexen-1-yl ester Chemical Properties

Acetic acid, 2-isopropyl-5-methyl-2-hexen-1-yl ester Toxicity Data With Reference

Acetic acid, 2-isopropyl-5-methyl-2-hexen-1-yl ester Safety Profile

Acetic acid, 2-isopropyl-5-methyl-2-hexen-1-yl ester Specification

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