Basic information
- CAS
13482-23-0- Standard SMILES
COC1CCC(=O)CC1- InChIKey
XADCKKKOYZJNAR-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Methoxycyclohexanone
- IUPAC
- 4-methoxycyclohexan-1-one
- English name
- 4-Methoxycyclohexanon
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
4-Methoxycyclohexanone13482-23-0DTXSID90336623RefChem:99640DTXCID40287712480-410-84-Methoxycyclohexanon4-methoxycyclohexan-1-one4-METHOXY-CYCLOHEXANONECyclohexanone, 4-methoxy-MFCD01110115p-methoxycyclohexanone
Show more names
4-Methoxycyclohexano4-Metho×ycyclohe×anone4-methoxycyclohexanone, 98%min4-methoxycyclohexan-1-one - [M82414]
SCHEMBL473531PB40355EN300-59069AMY3589FT-06925274-(Methyloxy)cyclohexanoneA21968CS-W004
Database identifiers
- CAS
13482-23-0- PubChem CID
- 535028
- DTXSID
DTXSID90336623- EC Number
- 480-410-8、619-588-0
- Nikkaji
- J108.758D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.5
Physicochemical properties
- Boiling point
- 189 · 189 ºC
- Density
- 0.98 · 0.98
- refractive index
- 1.456 · 1.4560
- Flash point
- 69 · 69 ºC
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Chloroform, Ethyl Acetate, Methanol
- form
- liquid
- color
- Clear, pale yellow
- InChI
- InChI=1S/C7H12O2/c1-9-7-4-2-6(8)3-5-7/h7H,2-5H2,1H3
- InChIKey
- XADCKKKOYZJNAR-UHFFFAOYSA-N
- SMILES
- C1(=O)CCC(OC)CC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P362+P364
- HS Code
- 2914500090 · 2914500090
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory.
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Hazard information
Regulatory InformationStatus: Active Update: 11-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5474
Hazard Classes and Categories
Eye Irrit. 2 (100%)
Eye Irrit. 2A (100%)
Safety data
- hs_code
- 2914500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P305+P351+P338-P362+P364
Chemistry & industry
Applications
Uses4-Methoxycyclohexanone is a substituted cyclohexanone used in the preparation of various organic compounds such as antitumor agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
西安凯美科新材料有限公司13720451009 13720451009 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
23 records
Compound notes
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