1-Vinylcyclohexyl alcohol (HCID 74741)

Names & identifiers

Preferred name: 1-Vinylcyclohexyl alcohol
IUPAC: 1-ethenylcyclohexan-1-ol
English name: 1-Vinylcyclohexanol 97
Molecular formula: C8H14O
Molecular weight: 126.2

Names & synonyms

1-Vinylcyclohexanol1940-19-81-Vinylcyclohexyl alcoholCyclohexanol, 1-vinyl-Cyclohexanol, 1-ethenyl-1-Ethenylcyclohexanol1-Ethenyl-cyclohexanol1-vinyl-1-cyclohexanol1-Vinylcyclohexan-1-ol1-Vinyl-cyclohexanol-(1)EINECS 217-718-71-Vinyl-cyclohexanol-(1) [German]

Show more names

1-vinyl-cyclohexano1-Vinylcyclohexanol 971-Vinylcyclohexanol ,50%1-Ethenylcyclohexan-1-ol1-vinylcyclohexylalcohol

NSC 62184BRN 13056599B9NGC979XAI3-25140NSC-62184DTXSID301730194-06-00-00222 (Beilstein Handbook Reference)1-HYDROXY-1-VINYLCYCLOHEXANE

Database identifiers

CAS: 1940-19-8
PubChem CID: 74741
DTXSID: DTXSID30173019
UNII: 9B9NGC979X
EC Number: 217-718-7
Nikkaji: J55.437E

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 101

Physicochemical properties

Melting point: 4 °C · 4 °C
Boiling point: 74 °C19 · 74 °C19 mm Hg(lit.)
Density: 0.942 g/mL · 0.942 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.478(lit.)
Flash point: 158 °F · 158 °F
pka: 14.56 · 14.56±0.20(Predicted)
InChI: 1S/C8H14O/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2
InChIKey: ZXKHOVDDJMJXQP-UHFFFAOYSA-N
SMILES: OC1(CCCCC1)C=C
FDA UNII: 9 B9NGC979X · 9B9NGC979X
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 890000 · GW0890000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: GW0890000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses1-Vinyl cyclohexanol may be used to synthesize:1-vinyl-1-cyclohexene1-vinyl-1-cyclohexylacrylatecyclohexylideneacetaldehyde

General Description1-Vinyl cyclohexanol, also known as 1-vinyl-1-cyclohexanol, is a tertiary allylic alcohol. It can be synthesized from cyclohexanone and vinyl chloride. It can undergo transition-metal-free tandem allylic borylation in the presence of B2pin [bis(pinacolato)diboron], Cs2CO3, THF and MeOH to yield triborated product. Pd-fullerite catalysts have been prepared which effectively catalyzes the hydrogenation of 1-ethynyl-1-cyclohexanol to 1-vinyl-1-cyclohexanol.