1-Methyl-1,2-epoxycyclohexane

HCID 224243

Notes Reactions

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Basic information

CAS: 1713-33-3
Standard SMILES: CC12CCCCC1O2
InChIKey: FIEKVYPYFQSFTP-UHFFFAOYSA-N
Molecular formula: C7H12O
Average molar mass: 112.17 g/mol
Monoisotopic mass: 112.088815

Names & identifiers

Preferred name: 1-Methyl-1,2-epoxycyclohexane
IUPAC: 1-methyl-7-oxabicyclo[4.1.0]heptane
English name: 1-methyl-7-oxabicyclo[4.1.0]heptane
Molecular formula: C7H12O
Molecular weight: 112.17

Names & synonyms

1-Methyl-1,2-epoxycyclohexaneRefChem:433674677-561-91,2-Epoxy-1-methylcyclohexane1713-33-31-Methyl-7-oxabicyclo[4.1.0]heptane1-Methylcyclohexene oxideMFCD118461211-Methylepoxycyclohexane7-Oxabicyclo[4.1.0]heptane, methyl-1,2-epoxy-1-methyl-cyclohexane7-Oxabicyclo[4.1.0]heptane, 1-methyl-

Show more names

1,2-cycloxy-1-methylcyclohexane1-Methyl-1,2-epoxycyclohexane>1-methyl-7-oxabicyclo[4.1.0]heptane1-methyl-7-oxabicyclo[4.1.0]heptane - [M83602]1,2-Epoxy-1-methylcyclohexane 1-Methyl-7-oxabicyclo[4.1.0]heptane

1-Methyl-1,2-cyclohexene oxide1-Methylcyclohexene epoxideSCHEMBL12626731-Methylcyclohexene 1,2-oxideDTXSID20873233BS-52385NSC-12597SCHEMBL2332410

Database identifiers

CAS: 1713-33-3
PubChem CID: 224243
DTXSID: DTXSID20873233
EC Number: 677-561-9
Nikkaji: J47.462B

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 111

Physicochemical properties

Boiling point: 138 °C · 138 °C
Density: 0.93 · 0.93
refractive index: 1.442 to · 1.4420 to 1.4460
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: clear liquid
color: Colorless to Light orange to Yellow
FDA UNII: 6286 R282F4 · 6286R282F4
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Warning
Hazard statements: 315 · H315-H319-H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
RIDADR: 1993 · UN 1993 3/PG III
HazardClass: 3 · 3
PackingGroup: III
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: UN 1993 3/PG III
hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS07,GHS02
hazard_class: 3
packing_group: III
Hazard statements: H315-H319-H226
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235