1-Cyclohexylbutan-1-one
Basic information
- CAS
1462-27-7- Standard SMILES
CCCC(=O)C1CCCCC1- InChIKey
UYMHLXHLPQIDMA-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 1-Cyclohexylbutan-1-one
- IUPAC
- 1-cyclohexylbutan-1-one
- English name
- 1-CYCLOHEXYL-1-BUTANONE
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
1-Cyclohexylbutan-1-one1-Cyclohexyl-1-butanone1462-27-71-Butanone, 1-cyclohexyl-AI3-28162EINECS 215-966-0DTXSID70163297RefChem:431726DTXCID1085788215-966-01-Cyclohexanol-1-butanoneButyrylcyclohexan
Show more names
ECS3H2E4UG1-cyclohexyl-butan-1-oneSCHEMBL334418SCHEMBL4813468BAA46227AKOS010014818CS-0257557NS00024779
Database identifiers
- CAS
1462-27-7- PubChem CID
- 73832
- DTXSID
DTXSID70163297- UNII
- ECS3H2E4UG
- EC Number
- 215-966-0
- Nikkaji
- J80.120H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 237.64 °C · 237.64°C (rough estimate)
- Density
- 0.903 · 0.9030
- refractive index
- 1.4537 · 1.4537
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
2 records
Compound notes
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