Cyclohexanone, 2-(2-propen-1-yl)-

HCID 78944CAS 94-66-6
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCC1CCCCC1=O
InChIKey
UPGHEUSRLZSXAE-UHFFFAOYSA-N
Molecular formula
C9H14O
Average molar mass
138.21 g/mol
Monoisotopic mass
138.10446507

Names & identifiers

Preferred name
Cyclohexanone, 2-(2-propen-1-yl)-
IUPAC
2-prop-2-enylcyclohexan-1-one
English name
2-Allylcyclohexanone
Molecular formula
C9H14O
Molecular weight
138.21

Names & synonyms

2-Allylcyclohexanone94-66-6Cyclohexanone, 2-(2-propenyl)-2-Allylcyclohexan-1-oneCyclohexanone, 2-allyl-Cyclohexanone, 2-(2-propen-1-yl)-EINECS 202-352-2NSC 128921AI3-07009DTXSID90883283RefChem:580719Cyclohexanone, 2-allyl-(8CI)
Show more names
TIMTEC-BB SBB006544O-ALLYLCYCLOHEXANONE2-Allylcyclohexanone 97%2-Allylcyclohexanone >2-Allylcyclohexanone, 97 %2-(2-propenyl)-cyclohexanon
DTXCID901022826202-352-22-prop-2-enylcyclohexan-1-one2-(prop-2-en-1-yl)cyclohexan-1-oneMFCD00043548NSC-1289212-(2-Propenyl)cyclohexanoneNSC128921

Database identifiers

CAS
94-66-6
PubChem CID
78944
DTXSID
DTXSID90883283
UNII
KA2CS982EX
EC Number
202-352-2
Nikkaji
J182.106G

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
10

Physicochemical properties

Boiling point
94 °C/23 · 94 °C/23 mmHg (lit.)
Density
0.927 g/mL · 0.927 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.469(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C, stored under nitrogen
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 3077
hs_code
29142990
risk_code
20/21/22-36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclohexanone, 2-(2-propen-1-yl)-: INACTIVE
Applications · 2 items

Uses2-Allylcyclohexanone may be used in the synthesis of the following:bicyclo[3.3.1]non-2-en-9-oneR-(-)-epilachnene, an antipode of the defensive droplets from the Mexican bean beetle, Epilachna varivestis

General Description2-Allylcyclohexanone is a β,γ-unsaturated ketone. Selective oxidation of 2-allylcyclohexanone by benzonitrile-hydrogen peroxide has been reported. Asymmetric synthesis of 2-alkylcyclohexanones by alkylation of cyclohexanone enamines (III) of L-proline ester derivatives has been described. Oxidation of 2-allylcyclohexanone by 90% hydrogen peroxide catalyzed by arsonated polystyrene has been studied.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Related reactions

8 records
New reaction record

Linked notes

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