Cyclopropyl methyl ketone

HCID 13004
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Basic information

CAS
765-43-5
Standard SMILES
CC(=O)C1CC1
InChIKey
HVCFCNAITDHQFX-UHFFFAOYSA-N
Molecular formula
C5H8O
Average molar mass
84.12 g/mol
Monoisotopic mass
84.05751488

Names & identifiers

Preferred name
Cyclopropyl methyl ketone
IUPAC
1-cyclopropylethanone
English name
Cyclopropyl methyl ketone
Molecular formula
C5H8O
Molecular weight
84.12

Names & synonyms

Cyclopropyl methyl ketone765-43-51-CyclopropylethanoneAcetylcyclopropane1-Cyclopropylethan-1-OneEthanone, 1-cyclopropyl-Methyl cyclopropyl ketone1-cyclopropyl-ethanoneKetone, cyclopropyl methylcyclopropylmethylketoneNSC 1940MFCD00001297
Show more names
CPMKACETYLTRIMETHYLENENSC2031NSC 2031
N27YY1XCFHNSC-1940EINECS 212-146-4UNII-N27YY1XCFHAI3-08707Cyclopropylethanoneacetyl cyclopropane1-Cyclopropylethanone; Acetylcyclopropane; Cyclopropyl Methyl Ketone; Cyclopropylethanone; Methyl Cyclopropyl Ketone; NSC 1940

Database identifiers

CAS
765-43-5
PubChem CID
13004
DTXSID
DTXSID9074854
ChEMBL
CHEMBL5269860
UNII
N27YY1XCFH
EC Number
212-146-4
Nikkaji
J23.522I

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
6

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Other Organic Compounds
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure44.7 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
-70 °C · <-70°C
Boiling point
114 °C · 114 °C(lit.)
Density
0.849 g/mL · 0.849 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.424(lit.)
Flash point
70 °F · 70 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (69.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P301+P317, P303+P361+P353, P305+P351+P338, P305+P354+P338, P317, P321, P330, P337+P317, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 121 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Ethanone, 1-cyclopropyl-

Status: Active Update: 23-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5869

Cyclopropyl methyl ketone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA mild skin irritant; Dermal lethal-dose (rat) > 2,000 mg/kg; [RTECS] Causes burns; [ECHA REACH Registrations] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Ethylcyclopropane. See Acetone.
Hazard Classes and CategoriesFlam. Liq. 2 (69.4%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
KM5648000
ridadr
UN 1224 3/PG 2
hs_code
29142900
risk_code
11

Chemistry & industry

Uses & manufacturing

UsesUsed to make agricultural and fine chemicals; [ECHA REACH Registrations]

Applications

UsesCyclopropyl methyl ketone was used in the preparation of homoallylic alcohols. Acetylcyclopropane is used as an intermediate for the manufacturing pharmaceuticals, agrochemicals and other organic compounds.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京一化生物科技有限公司13429882898; 13429882898
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

163 records
New reaction record

Compound notes

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