1-(4-Tert-butylcyclohexyl)ethan-1-one

HCID 519151
NotesReactions

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Basic information

CAS
19091-09-9
Standard SMILES
CC(=O)C1CCC(C(C)(C)C)CC1
InChIKey
YMGRIFHYJBXCDV-UHFFFAOYSA-N
Molecular formula
C12H22O
Average molar mass
182.3 g/mol

Names & identifiers

Preferred name
1-(4-Tert-butylcyclohexyl)ethan-1-one
IUPAC
1-(4-tert-butylcyclohexyl)ethanone

Names & synonyms

19091-09-91-(4-Tert-butylcyclohexyl)ethan-1-oneRefChem:426035995-492-51-(4-(tert-Butyl)cyclohexyl)ethanone1-[4-(1,1-Dimethylethyl)cyclohexyl]ethanonecis-4-Tert-butylcyclohexyl methyl ketoneSCHEMBL1835031SCHEMBL1835036SCHEMBL11452519YMGRIFHYJBXCDV-PHIMTYICSA-NYMGRIFHYJBXCDV-XYPYZODXSA-N
Show more names
cis-1-acetyl-4-t-butylcyclohexanetrans-1-Acetyl-4-t-butylcyclohexaneAKOS0147365341-(trans-4-tert-butyl-cyclohexyl)-ethanoneKetone, 4-tert-butylcyclohexyl methyl, trans-

Database identifiers

CAS
19091-09-9
PubChem CID
519151
EC Number
995-492-5

Properties

Computed structural propertiesFilling in

XLogP
3.5
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
13

Safety & regulation

GHS classification

GHS Classification · 4 items

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%)

Related reactions

1 records
New reaction record

Compound notes

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