2-Cyclohepten-1-one

HCID 70723CAS 1121-66-0
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1C=CCCCC1
InChIKey
WZCRDVTWUYLPTR-UHFFFAOYSA-N
Molecular formula
C7H10O
Average molar mass
110.15 g/mol
Monoisotopic mass
110.07316494

Names & identifiers

Preferred name
2-Cyclohepten-1-one
IUPAC
cyclohept-2-en-1-one
English name
2-Cyclohepten-1-one
Molecular formula
C7H10O
Molecular weight
110.15

Names & synonyms

2-Cyclohepten-1-one1121-66-0Cyclohept-2-en-1-oneDTXSID301499162-cycloheptene-1-oneRefChem:86591DTXCID8072407214-334-1Cyclohept-2-enone2-CycloheptenoneTropileneCycloheptenone
Show more names
2-CYCLOHEPTEN-1-ONE, TECH., 80%2-Cyclohepten-1-one 80%, technical gradeTIANFUCHEM--1121-66-0---2-Cyclohepten-1-one
MFCD00004157(Z)-cyclohept-2-enoneNSC 155333cyclohept-2-eneonecyclohept-en-1-oneEINECS 214-334-1SCHEMBL446593SCHEMBL14832620

Database identifiers

CAS
1121-66-0
PubChem CID
70723
DTXSID
DTXSID30149916
EC Number
214-334-1
Nikkaji
J12.499K

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

Kovats Retention Index1020；1024

Physicochemical properties

Boiling point
183 °C · 183°C(lit.)
Density
0.988 g/mL · 0.988 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.494(lit.)
Flash point
155 °F · 155 °F
storage temp.
2 · 2-8°C
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
1
hs_code
2914290090
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

UsesA cycloheptenone derivative, a key intermediate for the synthesis of perhydroazulene terpenoids.

General Description2-Cyclohepten-1-one is an α,β-enone and its regioselective reaction with allyl indium reagent in the presence of TMSCl has been reported. It reacts with Bu2Zn in the presence of catalytic amounts of Cu(OTf)2 and CH2-bridged azolium salts to give (S)-3-butylcycloheptanone.

Upstream & downstream products

Suppliers50 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

19 records
New reaction record

Linked notes

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