Cyclohexanone, 2-propyl-

HCID 7199
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
94-65-5
Standard SMILES
CCCC1CCCCC1=O
InChIKey
OCJLPZCBZSCVCO-UHFFFAOYSA-N
Molecular formula
C9H16O
Average molar mass
140.22 g/mol
Monoisotopic mass
140.12011513

Names & identifiers

Preferred name
Cyclohexanone, 2-propyl-
IUPAC
2-propylcyclohexan-1-one
English name
2-Propylcyclohexanone
Molecular formula
C9H16O
Molecular weight
140.22

Names & synonyms

2-PROPYLCYCLOHEXANONE94-65-5Cyclohexanone, 2-propyl-EINECS 202-351-7NSC 54015DTXSID20870429RefChem:580730DTXCID10818153202-351-72-propylcyclohexan-1-one2-PROPYL CYCLOHEXANONEMFCD00019464
Show more names
2-propyl-cyclohexanon2-Propylcyclohexanone>2-(n-propyl)cyclohexanone
64870-42-42-propyl-cyclohexanoneNSC54015SCHEMBL420230SCHEMBL6590404OCJLPZCBZSCVCO-UHFFFAOYSA-NSC-54015AKOS009157714

Database identifiers

CAS
94-65-5
PubChem CID
7199
DTXSID
DTXSID20870429
EC Number
202-351-7
Nikkaji
J113.867G

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
10

Physicochemical properties

Melting point
32.57 °C · 32.57°C (estimate)
Boiling point
198 °C · 198°C
Density
0 · 0,91 g/cm3
refractive index
1.451 to · 1.4510 to 1.4540
EPA Substance Registry System
2 · Cyclohexanone, 2-propyl- (94-65-5)
Risk Statements
10 · 10

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

Safety data

tsca
TSCA listed
ridadr
1993
hs_code
2914290090
risk_code
10
safety_code
16

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclohexanone, 2-propyl-: INACTIVE

Applications

Uses2-Propylcyclohexanone is commonly used for chemoselective reactions.

Upstream & downstream products

Downstream products

Suppliers24 total

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]
西安凯美科新材料有限公司13720451009 13720451009 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

Loading…