Basic information
- CAS
24199-46-0- Standard SMILES
CCC(C)=CCCC(C)=O- InChIKey
SAXWRVSDVXCTEL-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 5-Octen-2-one, 6-methyl-
- IUPAC
- 6-methyloct-5-en-2-one
- English name
- 6-Methyl-5-octen-2-one
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
6-Methyloct-5-en-2-one5-Octen-2-one, 6-methyl-24199-46-0Ethylheptenone75JXR26RR9ETHYL HEPTENONEEINECS 246-073-4AI3-35815EC 246-073-4DTXSID4066967RefChem:537488DTXCID5037024
Show more names
246-073-46-Ethyl-5-hepten-2-one6-methyl-5-octen-2-on6-methyl-oct-5-en-2-oneUNII-75JXR26RR9SCHEMBL3019155NS00005392
Database identifiers
- CAS
24199-46-0- PubChem CID
- 91135
- DTXSID
DTXSID4066967- UNII
- 75JXR26RR9
- EC Number
- 246-073-4
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 65 °C · 65 °C(Press: 10 Torr)
- Density
- 0.8603 g/cm3 · 0.8603 g/cm3
- LogP
- 3.3 at · 3.3 at 20℃ and pH7
- FDA UNII
- 75 JXR26RR9 · 75JXR26RR9
- EPA Substance Registry System
- 5 · 5-Octen-2-one, 6-methyl- (24199-46-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 412 · H412-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 0.8% (1 of 118) of reports.
Warning
H317 (99.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 118 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 5-Octen-2-one, 6-methyl-
REACH registered substance: 6-methyloct-5-en-2-one (EC: 246-073-4)
Hazard Classes and CategoriesSkin Sens. 1B (99.2%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H412-H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5-Octen-2-one, 6-methyl-: ACTIVE
Suppliers3 total
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
5 records
Compound notes
Loading…