1-Cyclopropylpropan-2-one

HCID 537025CAS 4160-75-2

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)CC1CC1
InChIKey: CTNXHXGIKSAADL-UHFFFAOYSA-N
Molecular formula: C6H10O
Average molar mass: 98.14 g/mol
Monoisotopic mass: 98.07316494

Names & identifiers

Preferred name: 1-Cyclopropylpropan-2-one
IUPAC: 1-cyclopropylpropan-2-one
English name: 1-Cyclopropyl-propan-2-one
Molecular formula: C6H10O
Molecular weight: 98.14

Names & synonyms

1-cyclopropylpropan-2-one4160-75-21-Cyclopropyl-2-propanoneDTXSID70336883RefChem:432007DTXCID60287971963-916-81-Cyclopropylacetone1-CYCLOPROPYL-PROPAN-2-ONECyclopropylacetone2-Propanone, 1-cyclopropyl-MFCD02632334

Show more names

Valproic Acid Impurity 51Pentoxifylline Impurity 191-cyclopropylacetone(SALTDATA: 0.12H2O)

1-CYCLOPROPYL ACETONEacetonyl cyclopropane1-Cyclopropylacetone #1-cyclpropyl-propane-oneSCHEMBL526891SCHEMBL21315004SCHEMBL27327089SCHEMBL27990171

Database identifiers

CAS: 4160-75-2
PubChem CID: 537025
DTXSID: DTXSID70336883
EC Number: 963-916-8
Nikkaji: J129.206D

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 82.2

Physicochemical properties

Boiling point: 119 ℃ · 119℃
Density: 0.939 · 0.939
Flash point: 28 ℃ · 28℃
storage temp.: 2 · Storage temp. 2-8°C
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P240-P241-P242-P243-P261-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS02,GHS07
Hazard statements: H225-H315-H319-H335
Precautionary statements: P210-P240-P241-P242-P243-P261-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501