3-Methoxycyclohex-1-ene
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Basic information
- CAS
2699-13-0- Standard SMILES
COC1C=CCCC1- InChIKey
OKDKFTKUXADLSJ-UHFFFAOYSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Names & identifiers
- Preferred name
- 3-Methoxycyclohex-1-ene
- IUPAC
- 3-methoxycyclohexene
- English name
- 3-Methoxycyclohexene
- Molecular formula
- C7H12O
- Molecular weight
- 112.17
Names & synonyms
3-methoxycyclohex-1-eneRefChem:503254805-871-83-Methoxycyclohexene2699-13-0Cyclohexene, 3-methoxy-MFCD000137771-Cyclohexene, 3-methoxy-NSC1555653-methox ycyclohexene3-methoxy-cyclohexene1-Cyclohexene, 3-methoxy-,
Show more names
3-Methoxycyclohexene>
SCHEMBL425157SCHEMBL1978481SCHEMBL2755809SCHEMBL11853094SCHEMBL17529650CAA69913SBB060461AKOS006280591
Database identifiers
- CAS
2699-13-0- PubChem CID
- 137685
- EC Number
- 805-871-8
- Nikkaji
- J566.057B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.4
Physicochemical properties
- Boiling point
- 133 °C · 133°C(lit.)
- Density
- 0.91 g/cm3 · 0.910 g/cm3
- refractive index
- 1.453 · 1.4530-1.4570
- form
- clear liquid
- color
- Colorless to Almost colorless
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- RIDADR
- 3271 · 3271
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 2909200090 · 2909200090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, 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
- 3271
- hs_code
- 2909200090
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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