Basic information
- CAS
931-56-6- Standard SMILES
COC1CCCCC1- InChIKey
GHDIHPNJQVDFBL-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- Cyclohexyl methyl ether
- IUPAC
- methoxycyclohexane
- English name
- Cyclohexyl methyl ether
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
METHOXYCYCLOHEXANECyclohexyl methyl ether1-MethoxycyclohexaneCyclohexane, methoxy-Ether, cyclohexyl methylMethyl cyclohexyl etherUNII-I340UAT8HBI340UAT8HBANISOLE, HEXAHYDRO-DTXSID10239268RefChem:129687DTXCID30161759
Show more names
2-MethoxycyclohexaneMethoxycyclohexane>CYCLOHEXYLMETHYL ETHER
805-874-4GHDIHPNJQVDFBL-UHFFFAOYSA-N931-56-6methoxy-cyclohexaneMFCD00154087CyOMeSCHEMBL40787SCHEMBL40788
Database identifiers
- CAS
931-56-6- PubChem CID
- 13607
- DTXSID
DTXSID10239268- UNII
- I340UAT8HB
- EC Number
- 805-874-4
- Nikkaji
- J99.906G
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 55.4
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -74 °C · -74°C(lit.)
- Boiling point
- 135 °C · 135°C(lit.)
- Density
- 0.8756 · 0.8756
- refractive index
- 1.433 · 1.4330-1.4370
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 3.1 · 3.1×10-2 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- InChI
- InChI=1S/C7H14O/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3
- InChIKey
- GHDIHPNJQVDFBL-UHFFFAOYSA-N
- SMILES
- C1(OC)CCCCC1
- FDA UNII
- 340 UAT8HB · I340UAT8HB
- NIST Chemistry Reference
- 1 · 1-Methoxycyclohexane(931-56-6)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225
- 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
- II
- HS Code
- 2909200090 · 2909200090
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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 CategoriesFlam. Liq. 2 (100%)
Safety data
- ridadr
- 3271
- hs_code
- 2909200090
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H225
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers34 total
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Related reactions
2 records
Compound notes
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