Cyclopropyl phenyl ketone

HCID 77029CAS 3481-02-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1ccccc1)C1CC1
InChIKey
PJRHFTYXYCVOSJ-UHFFFAOYSA-N
Molecular formula
C10H10O
Average molar mass
146.19 g/mol
Monoisotopic mass
146.07316494

Names & identifiers

Preferred name
Cyclopropyl phenyl ketone
IUPAC
cyclopropyl(phenyl)methanone
English name
Cyclopropyl phenyl ketone
Molecular formula
C10H10O
Molecular weight
146.19

Names & synonyms

Cyclopropyl phenyl ketonecyclopropyl(phenyl)methanone3481-02-5Phenyl cyclopropyl ketoneBenzoylcyclopropaneMethanone, cyclopropylphenyl-Ketone, cyclopropyl phenylCyclopropylphenylmethanoneHZE54S9VGFNSC-10743DTXSID30188345EINECS 222-458-2
Show more names
Cyclopropyl phenyl kCyclopropylphenylketone,97%Methanone,cyclopropylphenyl-Cyclopropyl phenyl ketone 98%
NSC 10743RefChem:581201DTXCID60110836222-458-2MFCD00001294cyclopropyl-phenyl-methanonecyclopropyl-phenylmethanonePJRHFTYXYCVOSJ-UHFFFAOYSA-

Database identifiers

CAS
3481-02-5
PubChem CID
77029
DTXSID
DTXSID30188345
UNII
HZE54S9VGF
EC Number
222-458-2
Nikkaji
J140.837B

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials PropertiesChemical shift
Physical DescriptionColorless or pale yellow liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
7 · 7-9 °C(lit.)
Boiling point
121 · 121-123 °C15 mm Hg(lit.)
Density
1.058 g/mL · 1.058 g/mL at 25 °C(lit.)
vapor density
5 · 5 (vs air)
refractive index
20 · n20/D 1.553(lit.)
Flash point
195 °F · 195 °F

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

Regulatory InformationMethanone, cyclopropylphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
3
hs_code
2914390090
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
23-24/25

Chemistry & industry

Applications · 2 items

UsesCyclopropyl phenyl ketone is used to prepare α-cyclopropylstyrene by the Wittig reaction in dimethyl sulfoxide. It is also used as starting reagent during the (Z)-titanium enolate formation from cyclopropyl ketones via TiCl4-n-Bu4NI-induced ring opening reaction.

UsesCyclopropyl phenyl ketone was used to prepare α-cyclopropylstyrene by the Wittig reaction in dimethyl sulfoxide. It was used as starting reagent during the (Z)-titanium enolate formation from cyclopropyl ketones via TiCl4-n-Bu4NI-induced ring opening reaction.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]

Related reactions

14 records
New reaction record

Linked notes

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