Cyclohexenylcyclohexanone

HCID 101175
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Basic information

CAS
1502-22-3
Standard SMILES
O=C1CCCCC1C1=CCCCC1
InChIKey
GVNVAWHJIKLAGL-UHFFFAOYSA-N
Molecular formula
C12H18O
Average molar mass
178.27 g/mol
Monoisotopic mass
178.1357652

Overview

structure

Names & identifiers

Preferred name
Cyclohexenylcyclohexanone
IUPAC
2-(cyclohexen-1-yl)cyclohexan-1-one
English name
2-(1-Cyclohexenyl)cyclohexanone
Molecular formula
C12H18O
Molecular weight
178.27

Names & synonyms

2-(1-Cyclohexenyl)cyclohexanone1502-22-3Cyclohexanone, 2-(1-cyclohexen-1-yl)-2-(1-Cyclohexen-1-yl)cyclohexanoneKLP9AR22U2NSC-518776DTXSID30870879cyclohexenylcyclohexanoneRefChem:580793DTXCID00818561216-120-3[1,1'-Bi(cyclohexan)]-1'-en-2-one
Show more names
Nsc518776TIMTEC-BB SBB007681BICYCLOHEXYL-1'-EN-2-ONEBICYCLOHEXYL-1'-EN-2-ONEo-cyclohexenylcyclohexanone(1-Cyclohexenyl)cyclohexanonecyclohexanone,2-(cyclohexenyl)-
CHCH2-CyclohexenylcyclohexanoneCyclohexanone, 2-(cyclohexenyl)-2-(cyclohexen-1-yl)cyclohexan-1-one2-(Cyclohex-1-enyl)cyclohexanoneMFCD000137962-(1-cyclohexenyl) cyclohexanoneCS-W017304

Database identifiers

CAS
1502-22-3
PubChem CID
101175
DTXSID
DTXSID30870879
UNII
KLP9AR22U2
EC Number
216-120-3
Nikkaji
J7.750J

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
-77.9 °C · -77.9°C
Boiling point
265 °C · 265°C
Density
0 · 0,998 g/cm3
refractive index
1.506 · 1.5060
Flash point
265 °C · 265°C
storage temp.
2 · Storage temp. 2-8°C

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

Aggregated GHS information provided per 234 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: Cyclohexanone, 2-(1-cyclohexen-1-yl)-
Hazard Classes and CategoriesNot Classified

Safety data

tsca
TSCA listed
hs_code
29142990
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
hazard_class
IRRITANT

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclohexanone, 2-(1-cyclohexen-1-yl)-: ACTIVE

Applications

UsesIt is a perfuming agent. It is used for special solvents and as a raw material in agrochemicals and dyestuffs.

Upstream & downstream products

Suppliers93 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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