(Z)-Oct-5-en-2-ol supplier | CasNO.55968-41-7

Name
(Z)-Oct-5-en-2-ol
EINECS 259-925-5
CAS No. 55968-41-7
Article Data2
CAS DataBase
Density 0.843 g/cm³
Solubility
Melting Point -31.5°C (estimate)
Formula C₈H₁₆O
Boiling Point 189.3 °C at 760 mmHg
Molecular Weight 128.214
Flash Point 72.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (Z)-5-Octen-2-ol;
PSA 20.23000
LogP 2.11360

Synthetic route

: 6728-31-0
(Z)-4-heptenal

: 75-16-1
methylmagnesium bromide

: 55968-41-7
cis-5-octen-2-ol

Conditions

Conditions	Yield
Stage #1: (Z)-4-heptenal; methylmagnesium bromide In tetrahydrofuran; toluene at -78 - 20℃; Stage #2: With water; ammonium chloride In tetrahydrofuran; toluene	83%

: 55968-41-7
cis-5-octen-2-ol

: 147751-16-4
tert-butyl (methylsulfonyl)carbamate

: 1214888-41-1
(Z)-tert-butyl methylsulfonyl(oct-5-en-2-yl)carbamate

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 16h;	82%

: 55968-41-7
cis-5-octen-2-ol

: 124-63-0
methanesulfonyl chloride

: cis-5-Octen-2-yl Methanesulfonate

Conditions

Conditions	Yield
With pyridine at 0 - 5℃;

: 55968-41-7
cis-5-octen-2-ol

: 89122-02-1
(Z)-5-octen-2-yl hydroperoxide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: pyridine / 0 - 5 °C 2: H2O2, KOH / methanol; H2O / 1.) 0-5 deg C, 2.) room temperature View Scheme

(Z)-Oct-5-en-2-ol Specification

The (Z)-Oct-5-en-2-ol, with the CAS registry number of 55968-41-7, is also known as (Z)-5-Octen-2-ol. Its EINECS registry number is 259-925-5. This chemical's molecular formula is C₈H₁₆O and molecular weight is 128.21204. What's more, its IUPAC name is (Z)-Oct-5-en-2-ol.

Physical properties about (Z)-Oct-5-en-2-ol are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.62; (6)ACD/BCF (pH 7.4): 40.62; (7)ACD/KOC (pH 5.5): 493.33; (8)ACD/KOC (pH 7.4): 493.33; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 40.66 cm³; (15)Molar Volume: 152 cm³; (16)Surface Tension: 28.6 dyne/cm; (17)Density: 0.843 g/cm³; (18)Flash Point: 72.6 °C; (19)Enthalpy of Vaporization: 49.52 kJ/mol; (20)Boiling Point: 189.3 °C at 760 mmHg; (21)Vapour Pressure: 0.157 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(C)CC\C=C/CC
(2) InChI: InChI=1/C8H16O/c1-3-4-5-6-7-8(2)9/h4-5,8-9H,3,6-7H2,1-2H3/b5-4-
(3) InChIKey: LZHHQGKEJNRBAZ-PLNGDYQABJ

Product Name

(Z)-Oct-5-en-2-ol

Synthetic route

(Z)-Oct-5-en-2-ol Specification

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