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35628-05-8

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Basic Information
CAS No.: 35628-05-8
Name: (S)-(-)-IPSENOL
Article Data: 20
Molecular Structure:
Molecular Structure of 35628-05-8 ((S)-(-)-IPSENOL)
Formula: C10H18O
Molecular Weight: 154.252
Synonyms: 7-Octen-4-ol,2-methyl-6-methylene-, (S)-;(-)-2-Methyl-6-methylene-7-octen-4-ol;(-)-Ipsenol;(4S)-(-)-Ipsenol;(S)-(-)-Ipsenol;(S)-Ipsenol;Ipsenol;
Density: 0.848 g/cm3
Boiling Point: 222.2 °C at 760 mmHg
Flash Point: 83.4 °C
PSA: 20.23000
LogP: 2.52570
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Specification

The 7-Octen-4-ol,2-methyl-6-methylene-, (4S)-, with the CAS registry number 35628-05-8, has the systematic name of 2-methyl-6-methylideneoct-7-en-4-ol. And the molecular formula of this chemical is C10H18O. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of 7-Octen-4-ol,2-methyl-6-methylene-, (4S)- are as following: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 114.13; (6)ACD/BCF (pH 7.4): 114.13; (7)ACD/KOC (pH 5.5): 1033.48; (8)ACD/KOC (pH 7.4): 1033.48; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 49.12 cm3; (15)Molar Volume: 181.8 cm3; (16)Polarizability: 19.47×10-24cm3; (17)Surface Tension: 27.3 dyne/cm; (18)Density: 0.848 g/cm3; (19)Flash Point: 83.4 °C; (20)Enthalpy of Vaporization: 53.34 kJ/mol; (21)Boiling Point: 222.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0211 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(CC(\C=C)=C)CC(C)C
(2)InChI: InChI=1/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8,10-11H,1,4,6-7H2,2-3H3
(3)InChIKey: RHAXCOKCIAVHPB-UHFFFAOYAU