Cyclohexyl phenyl ketone

HCID 12837CAS 712-50-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1ccccc1)C1CCCCC1
InChIKey
BMFYCFSWWDXEPB-UHFFFAOYSA-N
Molecular formula
C13H16O
Average molar mass
188.26 g/mol
Monoisotopic mass
188.12011513

Names & identifiers

Preferred name
Cyclohexyl phenyl ketone
IUPAC
cyclohexyl(phenyl)methanone
English name
Benzoylcyclohexane
Molecular formula
C13H16O
Molecular weight
188.27

Names & synonyms

Cyclohexyl phenyl ketone712-50-5CyclohexylphenylketoneMethanone, cyclohexylphenyl-DTXSID5048182NSC-8180NU53987V8DTXCID1028156RefChem:580880211-923-5Cyclohexyl(phenyl)methanoneBenzoylcyclohexane
Show more names
usafkf-3BenzoylcyclohexanTIMTEC-BB SBB007832PHENYLCYCLOHEXYL KETONEketone,cyclohexylphenylCyclohexyl Phenyll Ketone
Phenyl cyclohexyl ketoneBenzoyl cyclohexaneCyclohexyl-phenyl-methanoneUSAF KF-3cyclohexylphenylmethanoneKETONE, CYCLOHEXYL PHENYLMFCD00001467Benzophenone, 1,2,3,4,5,6-hexahydro-

Database identifiers

CAS
712-50-5
PubChem CID
12837
DTXSID
DTXSID5048182
ChEMBL
CHEMBL3188506
UNII
0NU53987V8
EC Number
211-923-5
Nikkaji
J1.727B

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14

Experimental & physicochemical properties

Kovats Retention Index1608；1586.2

Physicochemical properties

Melting point
55 · 55-57 °C (lit.)
Boiling point
165 · 165-168°C 20mm
Density
0.9671 · 0.9671 (rough estimate)
refractive index
1.5435 · 1.5435 (estimate)
Flash point
230 °F · >230 °F
storage temp.
-20 °C · -20°C Freezer, Under inert atmosphere

Safety & regulation

GHS classification

GHS Classification · 4 items

H411 (99.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 120 reports by companies from 2 notifications to the ECHA C&L Inventory.；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 Information · 2 items

Status: Active Update: 08-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1898

Methanone, cyclohexylphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAquatic Chronic 2 (99.2%)

Regulatory information

Regulatory Information · 2 items

Status: Active Update: 08-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1898

Methanone, cyclohexylphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
OB1760000
hs_code
29143900
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationMethanone, cyclohexylphenyl-: ACTIVE
Applications · 1 item

UsesCyclohexyl phenyl ketone was used to investigate the crosslinked cyclohexyl phenyl compounds under thermal and aquathermal conditions. It was used to examine the effects of molecular changes in the benzophenone molecule on phototoxic behavior.

Upstream & downstream products

Suppliers50 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

22 records
New reaction record

Linked notes

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