4-Methyl-3-decen-5-ol supplier

Name
4-Methyl-3-decen-5-ol
EINECS 279-815-0
CAS No. 81782-77-6
Article Data6
CAS DataBase
Density 0.845 g/cm³
Solubility 63mg/L at 20℃
Melting Point
Formula C₁₁H₂₂O
Boiling Point 232.9 °C at 760 mmHg
Molecular Weight 170.295
Flash Point 100 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3E)-4-methyldec-3-en-5-ol;(E)-4-methyldec-3-en-5-ol;
PSA 20.23000
LogP 3.28390

4-Methyl-3-decen-5-ol Specification

The 4-Methyl-3-decen-5-ol, with the CAS registry number 81782-77-6 and EINECS registry number 279-815-0, has the systematic name of (3E)-4-methyldec-3-en-5-ol. And the molecular formula of the chemical is C₁₁H₂₂O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 997.35; (6)ACD/BCF (pH 7.4): 997.35; (7)ACD/KOC (pH 5.5): 4877.26; (8)ACD/KOC (pH 7.4): 4877.26; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 54.4 cm³; (15)Molar Volume: 201.4 cm³; (16)Polarizability: 21.56×10^-24cm³; (17)Surface Tension: 28.9 dyne/cm; (18)Density: 0.845 g/cm³; (19)Flash Point: 100 °C; (20)Enthalpy of Vaporization: 54.59 kJ/mol; (21)Boiling Point: 232.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0107 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(/C(=C/CC)C)CCCCC
(2)InChI: InChI=1/C11H22O/c1-4-6-7-9-11(12)10(3)8-5-2/h8,11-12H,4-7,9H2,1-3H3/b10-8+
(3)InChIKey: WSTQLNQRVZNEDV-CSKARUKUBK

Product Name

4-Methyl-3-decen-5-ol

4-Methyl-3-decen-5-ol Specification

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