Basic information
- CAS
5452-36-8- Standard SMILES
CC1CCCC(=O)CC1- InChIKey
WXVNSHRGPVHBPD-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Names & identifiers
- Preferred name
- 4-Methylcycloheptanone
- IUPAC
- 4-methylcycloheptan-1-one
- English name
- Cycloheptanone,4-methyl-
- Molecular formula
- C8H14O
- Molecular weight
- 126.19616
Names & synonyms
4-Methylcycloheptanone4-methylcycloheptan-1-one5452-36-8DTXSID30280873RefChem:525562DTXCID60232027996-997-3Cycloheptanone, 4-methyl-NSC-18963ZV82F64ZD5NSC189634-methylcycloheptanon
Show more names
4-Methyl-cycloheptanoneCycloheptanone,4-methyl-
UNII-ZV82F64ZD5SCHEMBL441622FAA45236MFCD24394757SY197580EN300-85702
Database identifiers
- CAS
5452-36-8- PubChem CID
- 227397
- DTXSID
DTXSID30280873- UNII
- ZV82F64ZD5
- EC Number
- 996-997-3
- Nikkaji
- J1.818.559H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- FDA UNII
- 82 F64ZD5 · ZV82F64ZD5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, 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. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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