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1-Octen-3-ol, (3S)-

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Name

1-Octen-3-ol, (3S)-

EINECS
CAS No. 24587-53-9 Density 0.834 g/cm3
Solubility Melting Point
Formula C8H16O Boiling Point 168.4 °C at 760 mmHg
Molecular Weight 128.21 Flash Point 61.1 °C
Transport Information Appearance
Safety 26 Risk Codes 22-36/38
Molecular Structure Molecular Structure of 24587-53-9 (1-Octen-3-ol, (3S)-) Hazard Symbols HarmfulXn
Synonyms

1-Octen-3-ol, (S)- (8CI);(+)-1-Octen-3-ol;(S)-(+)-1-Octen-3-ol;(S)-1-Octen-3-ol;(S)-Matsutake alcohol;

 

1-Octen-3-ol, (3S)- Specification

The 1-Octen-3-ol, (3S)-, with the CAS registry number of 24587-53-9, is also known as (S)-(+)-Octen-3-ol. It belongs to the product categories of Alcohols. This chemical's molecular formula is C8H16O and molecular weight is 128.21. What's more, its systematic name is (3S)-Oct-1-en-3-ol.

Physical properties about 1-Octen-3-ol, (3S)- are: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 59.95; (6)ACD/BCF (pH 7.4): 59.95; (7)ACD/KOC (pH 5.5): 651.85; (8)ACD/KOC (pH 7.4): 651.85; (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: 1.438; (14)Molar Refractivity: 40.33 cm3; (15)Molar Volume: 153.5 cm3; (16)Polarizability: 15.98×10-24 cm3; (17)Surface Tension: 28 dyne/cm; (18)Density: 0.834 g/cm3; (19)Flash Point: 61.1 °C Enthalpy of; (20)Vaporization: 47.13 kJ/mol; (21)Boiling Point: 168.4 °C at 760 mmHg; (22)Vapour Pressure: 0.531 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. As a chemical, it is irritating to eyes and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, this chemical is harmful if swallowed.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@H](\C=C)CCCCC
(2) InChI: InChI=1/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1
(3) InChIKey: VSMOENVRRABVKN-MRVPVSSYBU

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