2-Hexen-1-ol, 1-acetate supplier

Name
hex-2-enyl acetate
EINECS 233-223-9
CAS No. 10094-40-3
Article Data10
CAS DataBase
Density 0.901g/cm³
Solubility
Melting Point
Formula C₈H₁₄O₂
Boiling Point 165.5 °C at 760 mmHg
Molecular Weight 142.198
Flash Point 58.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Hexen-1-ol,acetate (6CI,7CI,8CI,9CI);1-Acetoxy-2-hexene;2-Hexen-1-yl acetate;Hex-2-enylacetate;
PSA 26.30000
LogP 1.90580

2-Hexen-1-ol, 1-acetate Specification

The 2-Hexen-1-ol, 1-acetate, with CAS registry number 10094-40-3, has the systematic name of hex-2-en-1-yl acetate. Besides this, it is also called Hex-2-enylacetate(isomerunspecified). And the chemical formula of this chemical is C₈H₁₄O₂. What's more, its EINECS is 233-223-9.

Physical properties of 2-Hexen-1-ol, 1-acetate: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 53.78; (6)ACD/BCF (pH 7.4): 53.78; (7)ACD/KOC (pH 5.5): 603.09; (8)ACD/KOC (pH 7.4): 603.09; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 40.94 cm³; (15)Molar Volume: 157.6 cm³; (16)Polarizability: 16.23×10^-24cm³; (17)Surface Tension: 27.8 dyne/cm; (18)Density: 0.901 g/cm³; (19)Flash Point: 58.3 °C; (20)Enthalpy of Vaporization: 40.2 kJ/mol; (21)Boiling Point: 165.5 °C at 760 mmHg; (22)Vapour Pressure: 1.87 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC=CCCC)C
(2)InChI: InChI=1/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3
(3)InChIKey: HRHOWZHRCRZVCU-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3
(5)Std. InChIKey: HRHOWZHRCRZVCU-UHFFFAOYSA-N

Product Name

hex-2-enyl acetate

2-Hexen-1-ol, 1-acetate Specification

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