Basic information
- CAS
7214-50-8- Standard SMILES
CC1CC=CC(=O)C1- InChIKey
NQICQYZVEPBJON-UHFFFAOYSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Names & identifiers
- Preferred name
- 2-Cyclohexen-1-one, 5-methyl-
- IUPAC
- 5-methylcyclohex-2-en-1-one
- English name
- 2-Cyclohexen-1-one, 5-methyl-
- Molecular formula
- C7H10O
- Molecular weight
- 110.15
Names & synonyms
7214-50-82-Cyclohexen-1-one, 5-methyl-DTXSID40334957RefChem:86601DTXCID20286046NQICQYZVEPBJON-UHFFFAOYSA-N5-methylcyclohex-2-en-1-oneMFCD026855155-methyl-2-cyclohexenone5-Methylcyclohexen-2-oneSCHEMBL5791644SCHEMBL16515613
Show more names
5-methylcyclohex-2-enone
SCHEMBL18730899(+/-)-5-methyl-cyclohex-2-enoneAKOS030240071SY197787DB-113790EN300-982415-Methyl-2-cyclohexen-1-one; 5-Methyl-2-cyclohexene-1-one; 5-Methyl-2-cyclohexenone;
Database identifiers
- CAS
7214-50-8- PubChem CID
- 522446
- DTXSID
DTXSID40334957- Nikkaji
- J313.401F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 185 °C · 185°C (estimate)
- Density
- 0.947 · 0.9470
- refractive index
- 1.4739 · 1.4739
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses5-Methylcyclohex-2-en-1-one is an intermediate for 4-{1-Hydroxy-2-[3-(4-hydroxyphenyl)-5-methylcyclohexylamino]ethyl}phenol Hydrochloride (H825390), which is an impurity of Ractopamine (R071400).
Upstream & downstream products
Upstream raw materials
Suppliers5 total
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Related reactions
1 records
Compound notes
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