1-Methoxycyclohexene

HCID 70264

Notes Reactions

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Basic information

CAS: 931-57-7
Standard SMILES: COC1=CCCCC1
InChIKey: HZFQGYWRFABYSR-UHFFFAOYSA-N
Molecular formula: C7H12O
Average molar mass: 112.17 g/mol
Monoisotopic mass: 112.088815

Overview

1-methoxycyclohexene is an organooxygen compound.

Names & identifiers

Preferred name: 1-Methoxycyclohexene
IUPAC: 1-methoxycyclohexene
English name: 1-methoxycyclohexene
Molecular formula: C7H12O
Molecular weight: 112.17

Names & synonyms

1-Methoxycyclohexene931-57-7Cyclohexene, 1-methoxy-1-Methoxy-1-cyclohexeneEther, 1-cyclohexen-1-yl methylCyclohexanone methyl enol ether1-Cyclohexen-1-yl methyl ether2,3,4,5-TetrahydroanisoleDTXSID70239269RefChem:76176DTXCID40161760HZFQGYWRFABYSR-UHFFFAOYSA-N

Show more names

Cyclohexene,1-methoxy-1-methoxy-cyclohexen1-Cyclohexen-1-ylmethyletherEther,1-cyclohexen-1-ylmethyl1-MethoxycyclohexeneSeeM262395

InChI=1/C7H12O/c1-8-7-5-3-2-4-6-7/h5H,2-4,6H2,1H1-methoxycyclohex-1-ene1-methoxy-cyclohexeneMFCD00060822A22412SCHEMBL46404Discontinued See M262395SCHEMBL1145029

Database identifiers

CAS: 931-57-7
PubChem CID: 70264
DTXSID: DTXSID70239269
ChEBI: CHEBI:230282
EC Number: 695-326-9
Nikkaji: J675.087G

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 94.6

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Boiling point: 162 · 162-163 °C
Density: 0.9441 g/cm3 · 0.9441 g/cm3(Temp: 0 °C)
solubility: Methanol
form: Oil
color: Colourless
Odor: 1 % · at 1.00 % in dipropylene glycol. herb spice
Odor Type: herbal
LogP: 2.15 · 2.150 (est)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P