Basic information
- CAS
33375-08-5- Standard SMILES
CC1=CCC(C(C)C)CC1=O- InChIKey
WPGPCDVQHXOMQP-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- 2-Methyl-5-(propan-2-yl)cyclohex-2-en-1-one
- IUPAC
- 2-methyl-5-propan-2-ylcyclohex-2-en-1-one
- English name
- p-Mentha-1-ene-6-one
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
2-methyl-5-(propan-2-yl)cyclohex-2-en-1-oneDTXSID70962964RefChem:475683DTXCID001390739829-387-143205-82-9p-Mentha-1-ene-6-one2-methyl-5-propan-2-ylcyclohex-2-en-1-one5-ISOPROPYL-2-METHYLCYCLOHEX-2-EN-1-ONE2-Methyl-5-(1-methylethyl)-2-cyclohexen-1-onep-Menth-6-en-2-onecarvatonacetone
Show more names
5-Isopropyl-2-methyl-2-cyclohexen-1-oneCarvetonacetonep-Menth-6(1)-en-2-one2-Methyl-5-isopropyl-2-cyclohexene-1-one2-methyl-5-propan-2-yl-1-cyclohex-2-enone
carvotan acetone2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-(R)-Carvotanacetone(-)-Carvotanacetone5-Isopropyl-2-methylcyclohex-2-enoneSCHEMBL887925SCHEMBL20302824SCHEMBL20678578
Database identifiers
- CAS
33375-08-5、43205-82-9- PubChem CID
- 521267
- DTXSID
DTXSID70962964- EC Number
- 829-387-1
- Nikkaji
- J16.024E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
Kovats Retention Index1236
Physicochemical properties
- Boiling point
- 88 · 88-88.5 °C(Press: 5 Torr)
- Density
- 0.943 g/cm3 · 0.943 g/cm3(Temp: 18 °C)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 29 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular；Membrane
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
2 records
Compound notes
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