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2-Phenylcyclopentanone

HCID 290154
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1198-34-1
Standard SMILES
O=C1CCCC1c1ccccc1
InChIKey
NPELEPAOYMNNRW-UHFFFAOYSA-N
Molecular formula
C11H12O
Average molar mass
160.21 g/mol
Monoisotopic mass
160.088815

Names & identifiers

Preferred name
2-Phenylcyclopentanone
IUPAC
2-phenylcyclopentan-1-one
English name
2-Phenylcyclopentanone
Molecular formula
C11H12O
Molecular weight
160.21

Names & synonyms

2-phenylcyclopentanone1198-34-1DTXSID80302716RefChem:89066DTXCID80253850815-331-32-phenylcyclopentan-1-oneMFCD125458272-Phenyl-cyclopentanoneCyclopentanone, 2-phenyl-NSC1530442-phenyl-cyclopentan-1-one
Show more names
ghl.PD_Mitscher_leg0.592SCHEMBL361599SCHEMBL6069795BAA19834AKOS011896520NSC 153044NSC-153044BS-13709

Database identifiers

CAS
1198-34-1
PubChem CID
290154
DTXSID
DTXSID80302716
EC Number
815-331-3
Nikkaji
J80.087B

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
168

Physicochemical properties

Melting point
126 · 126-127 °C
Boiling point
145 °C · 145 °C(Press: 25 Torr)
Density
1.072 · 1.072±0.06 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid
color
White to Off-White
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

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 · 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)

Aggregated GHS information provided per 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Cyclopentanone, 2-phenyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Chemistry & industry

Applications

Uses2-Phenylcyclopentan-1-one is a useful compound for the green preparation of fluoroalkanones.

Suppliers17 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
砌块化学科技(上海)有限公司021-20432219 13918097649 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
北京建强伟业科技有限公司(FUSION弗珍试剂品牌)0531-88924771 15614660963 · [email protected]
艾吉析科技(上海)有限公司17721401538;17717235263 17721401538 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
上海鹤成医药科技有限公司13564747822 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
华阴市赛普生物科技有限公司13892502238 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]

Related reactions

23 records
New reaction record
HRID 118556 reaction equation
HRID 118556As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 200489 reaction equation
HRID 200489As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 451017 reaction equation
HRID 451017As productuspto-grants-2013_07
HRID 451018 reaction equation
HRID 451018As reactantuspto-grants-2013_07
HRID 451020 reaction equation
HRID 451020As reactantuspto-grants-2013_07
HRID 451101 reaction equation
HRID 451101As reactantuspto-grants-2013_07
HRID 474249 reaction equation
HRID 474249As productuspto-grants-2014_01
HRID 474250 reaction equation
HRID 474250As reactantuspto-grants-2014_01
Page 1 of 3

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]