7-Oxabicyclo(4.1.0)heptane, 3-ethenyl- (HCID 7832)

Overview

3-Vinyl-7-oxabicyclo[4.1.0]heptane is an oxacycle.

Names & identifiers

Preferred name: 7-Oxabicyclo(4.1.0)heptane, 3-ethenyl-
IUPAC: 3-ethenyl-7-oxabicyclo[4.1.0]heptane
English name: 1,2-Epoxy-4-vinylcyclohexane
Molecular formula: C8H12O
Molecular weight: 124.18

Names & synonyms

3-Vinyl-7-oxabicyclo[4.1.0]heptane7-Oxabicyclo[4.1.0]heptane, 3-ethenyl-Epoxide 1014-Vinylcyclohexene oxideUnoxat epoxide 101Vinylcyclohexane monoxideVinylcyclohexene monoxide1-Vinyl-3,4-epoxycyclohexane4-Vinyl-1,2-epoxycyclohexane4-Vinylcyclohexene monoxide3,4-Epoxycyclohexylethylene4-Vinylcyclohexane monoepoxide

Show more names

4-VINYL-1-CYCLOHEXENE 1,2-EPOXIDE4-Vinyl-1-cyclohexene 1,2-epoxide, mixture of isomers ,98% [mixture of isomers]EP-101epoxide101unoxatepoxide101vinylcyclohexenemonoxide3-Vinylcyclohexene oxide

4-Vinylcyclohexene-1,2-epoxide4-Vinylcyclohexane, 1,2-epoxideEINECS 203-436-1NSC 354093-Vinyl-7-oxabicyclo(4.1.0)heptaneBRN 01073907-Oxabicyclo(4.1.0)heptane, 3-ethenyl-AI3-26045

Database identifiers

CAS: 106-86-5
PubChem CID: 7832
DTXSID: DTXSID10861725
ChEBI: CHEBI:189262
Nikkaji: J60.482H

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 131

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

LogP2.08

Physical DescriptionLiquid

Physicochemical properties

Melting point: -100 °C · -100°C(lit.)
Boiling point: 169 °C · 169 °C(lit.)
Density: 0.952 g/mL · 0.952 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.469(lit.)
Flash point: 115 °F · 115 °F
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Almost colorless
Specific Gravity: 0.952 · 0.952
InChI: InChI=1S/C8H12O/c1-2-6-3-4-7-8(5-6)9-7/h2,6-8H,1,3-5H2
InChIKey: SLJFKNONPLNAPF-UHFFFAOYSA-N
SMILES: C12C(O1)CCC(C=C)C2
CAS DataBase Reference: 106 · 106-86-5(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 7 · 7-Oxabicyclo[4.1.0]heptane, 3-ethenyl-(106-86-5)
EPA Substance Registry System: 7 · 7-Oxabicyclo[4.1.0]heptane, 3-ethenyl- (106-86-5)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 2 · GHS02,GHS07,GHS08
Signal word: Warning
Hazard statements: 226 · H226-H302-H319-H351
Precautionary statements: 201 · P201-P210-P301+P312+P330-P305+P351+P338-P308+P313
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T,Xn
Risk Statements: 45 · 45-10-20/21/22-40-36-22
Safety Statements: 53 · 53-16-23-36/37/39-45-36/37-26
RIDADR: 3271 · UN 3271 3/PG 3
WGK Germany: 3 · 3
RTECS: 8770000 · RN8770000
TSCA: TSCA listed
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 29109000 · 29109000
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 4 OralCarc · Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 3
REACH Registrations: Active
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Hazard information

Regulatory Information · 3 items

Chemical: 7-Oxabicyclo[4.1.0]heptane, 3-ethenyl-

7-Oxabicyclo[4.1.0]heptane, 3-ethenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 7-Oxabicyclo[4.1.0]heptane, 3-ethenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

7-Oxabicyclo4.1.0heptane, 3-ethenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: RN8770000
ridadr: UN 3271 3/PG 3
hs_code: 29109000
risk_code: 45-10-20/21/22-40-36-22
Signal word: Warning
Symbol(GHS): GHS02,GHS07,GHS08
hazard_code: T,Xn
safety_code: 53-16-23-36/37/39-45-36/37-26
hazard_class: 3.2
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226-H302-H319-H351
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 3
Precautionary statements: P201-P210-P301+P312+P330-P305+P351+P338-P308+P313

Chemistry & industry

Pharmacology

Metabolism/Metabolites1,2-Epoxy-4-vinylcyclohexane has known human metabolites that include VCH-diepoxide.

Uses & manufacturing

U.S. Production2023: <50,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 items

All Other Basic Organic Chemical Manufacturing

7-Oxabicyclo[4.1.0]heptane, 3-ethenyl-: ACTIVE

Applications

UsesVinylcyclohexene monoxide is a chemical intermediate; it can be copolymerized with other epoxides to yield polyglycols having unsaturation available for further reaction.