1-Allyl-1-cyclohexanol

HCID 79145

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1123-34-8
Standard SMILES: C=CCC1(O)CCCCC1
InChIKey: ZSLKGUQYEQVKQE-UHFFFAOYSA-N
Molecular formula: C9H16O
Average molar mass: 140.22 g/mol
Monoisotopic mass: 140.12011513

Names & identifiers

Preferred name: 1-Allyl-1-cyclohexanol
IUPAC: 1-prop-2-enylcyclohexan-1-ol
English name: 1-Allylcyclohexanol
Molecular formula: C9H16O
Molecular weight: 140.22

Names & synonyms

1-Allyl-1-cyclohexanolRefChem:429062654-252-71-Allylcyclohexanol1123-34-8Cyclohexanol, 1-allyl-1-prop-2-enylcyclohexan-1-ol1-(prop-2-en-1-yl)cyclohexan-1-ol1-Allylcyclohexan-1-olCyclohexanol, 1-(2-propenyl)-MFCD00021403Cyclohexanol, 1-(2-propen-1-yl)-

Show more names

AC-2Ac2-1541-allyl-cyclohexanoAUTOCAMTIDE2AC-2AC21-Allylcyclohexyl alcohol

1-prop-2-enyl-1-cyclohexanolBRN 1561190allylcyclohexanolAI3-286301-allyl-cyclohexan-1-ol4-06-00-00235 (Beilstein Handbook Reference)SCHEMBL336253SCHEMBL1966046

Database identifiers

CAS: 1123-34-8
PubChem CID: 79145
DTXSID: DTXSID20149980
EC Number: 654-252-7
Nikkaji: J48.552G

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 112

Physicochemical properties

Boiling point: 190 °C · 190°C (estimate)
Density: 0.9341 · 0.9341
refractive index: 1.4756 · 1.4756
storage temp.: -196 °C · -196°C
pka: 15.17 · 15.17±0.20(Predicted)
CAS DataBase Reference: 1123 · 1123-34-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Toxicity: 50 · mouse,LD50,intravenous,100mg/kg (100mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04164,

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 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 CategoriesAcute Tox. 3 (90.7%)

Safety data

Toxicity: mouse,LD50,intravenous,100mg/kg (100mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04164,
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a