Bicyclohexyliden-2-one

HCID 13892CAS 1011-12-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1CCCCC1=C1CCCCC1
InChIKey
TYDSIOSLHQWFOU-UHFFFAOYSA-N
Molecular formula
C12H18O
Average molar mass
178.27 g/mol
Monoisotopic mass
178.13576519

Names & identifiers

Preferred name
Bicyclohexyliden-2-one
IUPAC
2-cyclohexylidenecyclohexan-1-one
English name
2-cyclohexylidenecyclohexanone
Molecular formula
C12H18O
Molecular weight
178.27

Names & synonyms

1011-12-72-CYCLOHEXYLIDENECYCLOHEXANONEBicyclohexyliden-2-oneCyclohexanone, 2-cyclohexylidene-DianonG1VAK47QOVEINECS 213-779-9NSC 61652NSC-61652AI3-04026DTXSID30862512RefChem:568318
Show more names
Nsc61652BicyclohexylideneVigabatrin ImpurityBICYCLOHEXYLIDENE-2-ONEPicoxystrobin Impurity 22-Cyclohexylidencyclohexanon1,1'-bi(cyclohexylidene)]-2-one
DTXCID30811262213-779-92-cyclohexylidenecyclohexan-1-oneCyclohexanone, cyclohexylidene-Cyclohexylidenecyclohexanone[1,1'-Bi(cyclohexylidene)]-2-one2-Cyclohexylidene-cyclohexanoneMFCD19443386

Database identifiers

CAS
1011-12-7、35255-48-2
PubChem CID
13892
DTXSID
DTXSID30862512
UNII
G1VAK47QOV
EC Number
213-779-9
Nikkaji
J121.204D

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

Melting point
57 °C · 57 °C
Boiling point
270.52 °C · 270.52°C (rough estimate)
Density
0.9249 · 0.9249 (rough estimate)
refractive index
1.4877 · 1.4877 (estimate)
storage temp.
-20 °C · -20°C Freezer, Under inert atmosphere
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (234 of 234) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 234 of 234 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 234 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 234 of 234 reports by companies.；There are 0 notifications provided by 0 of 234 reports by companies with hazard statement code(s).；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

Regulatory InformationChemical: Cyclohexanone, 2-cyclohexylidene-
Hazard Classes and CategoriesNot Classified

Regulatory information

Regulatory InformationChemical: Cyclohexanone, 2-cyclohexylidene-

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclohexanone, 2-cyclohexylidene-: ACTIVE

Applications

Uses2-Cyclohexylidene-cyclohexanone is a possible impurity of Picoxystrobin (P437600) which is methoxyacrylate strobilurin fungicide designed for the control of wide range of cereal diseases.

Suppliers19 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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Bicyclohexyliden-2-one (HCID 13892)｜Huagongshe