-
Name
Hotrienol
- EINECS 258-818-0
- CAS No. 20053-88-7
- Density 0.871g/cm3
- Solubility
- Melting Point
- Formula C10H16O
- Boiling Point 228.4 °C at 760 mmHg
- Molecular Weight 152.236
- Flash Point 89 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 1,5,7-Octatrien-3-ol,3,7-dimethyl-, (E)-(R)-(-)- (8CI);1,5,7-Octatrien-3-ol, 3,7-dimethyl-,[R-(E)]-;(-)-trans-Khotrienol;Hotrienol;Hotrienol, trans-(-)-;trans-(-)-Hotrienol;
- PSA 20.23000
- LogP 2.44580
Hotrienol Specification
The Hotrienol, with CAS registry number 20053-88-7, belongs to the following product categorie: Aliphatics. It has the systematic name of (5E)-3,7-dimethylocta-1,5,7-trien-3-ol. And its IUPAC name is (5E)-3,5-dimethylocta-1,5,7-trien-3-ol. Besides this, it is also called 1,5,7-octatrien-3-ol, 3,7-dimethyl-, (5E)-.
Physical properties about this chemical are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.475; (8)Molar Refractivity: 49.22 cm3; (9)Molar Volume: 174.7 cm3; (10)Polarizability: 19.51×10-24cm3; (11)Surface Tension: 28.3 dyne/cm; (12)Enthalpy of Vaporization: 54.05 kJ/mol; (13)Vapour Pressure: 0.0143 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(/C=C)(C)C\C=C\C(=C)C
(2)InChI: InChI=1/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3/b7-6+
(3)InChIKey: ZJIQIJIQBTVTDY-VOTSOKGWBM
(4)Std. InChI: InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3/b7-6+
(5)Std. InChIKey: ZJIQIJIQBTVTDY-VOTSOKGWSA-N
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