(1E,3S)-1-Iodo-(E)-1-octen-3-ol supplier

Name
(S)-trans-3-Hydroxy-1-iodo-1-octene
EINECS
CAS No. 39647-93-3
Article Data18
CAS DataBase
Density 1.487 g/cm³
Solubility
Melting Point
Formula C₈H₁₅IO
Boiling Point 258.471 °C at 760 mmHg
Molecular Weight 254.111
Flash Point 110.12 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Octen-3-ol,1-iodo-, [S-(E)]-;(S)-trans-3-Hydroxy-1-iodo-1-octene;3(S)-Hydroxy-1-iodo-1-trans-octene;
PSA 20.23000
LogP 2.87630

(1E,3S)-1-Iodo-(E)-1-octen-3-ol Specification

This chemical is called (1E,3S)-1-Iodo-(E)-1-octen-3-ol, and it can also be named as (S)-trans-3-Hydroxy-1-iodo-1-octene. With the molecular formula of C₈H₁₅IO, its molecular weight is 254.11. The CAS registry number of this chemical is 39647-93-3.

Other characteristics of the (1E,3S)-1-Iodo-(E)-1-octen-3-ol can be summarised as followings: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 596; (6)ACD/BCF (pH 7.4): 596; (7)ACD/KOC (pH 5.5): 3373; (8)ACD/KOC (pH 7.4): 3373; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 53.633 cm³; (15)Molar Volume: 170.913 cm³; (16)Polarizability: 21.262×10^-24cm³; (17)Surface Tension: 38.502 dyne/cm; (18)Density: 1.487 g/cm³; (19)Flash Point: 110.12 °C; (20)Enthalpy of Vaporization: 57.62 kJ/mol; (21)Boiling Point: 258.471 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CCCCCC(C=CI)O
2.InChI: InChI=1/C8H15IO/c1-2-3-4-5-8(10)6-7-9/h6-8,10H,2-5H2,1H3/b7-6+/t8-/m0/s1
3.InChIKey: KQDYMAYUKUZGDA-CZEYKFRCBY

Product Name

(S)-trans-3-Hydroxy-1-iodo-1-octene

(1E,3S)-1-Iodo-(E)-1-octen-3-ol Specification

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