3-Ethoxycyclohex-2-ene-1-one

HCID 79216CAS 5323-87-5
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC1=CC(=O)CCC1
InChIKey
JWCFJPLIRVYENQ-UHFFFAOYSA-N
Molecular formula
C8H12O2
Average molar mass
140.18 g/mol
Monoisotopic mass
140.08372962

Names & identifiers

Preferred name
3-Ethoxycyclohex-2-ene-1-one
IUPAC
3-ethoxycyclohex-2-en-1-one
English name
3-ETHOXY-2-CYCLOHEXEN-1-ONE
Molecular formula
C8H12O2
Molecular weight
140.18

Names & synonyms

3-Ethoxy-2-cyclohexen-1-one5323-87-52-Cyclohexen-1-one, 3-ethoxy-3-Ethoxycyclohex-2-ene-1-oneAI3-17967EINECS 226-190-7DTXSID30201326NSC 2826RefChem:501211DTXCID30123817226-190-73-Ethoxycyclohex-2-enone
Show more names
Enol ether base1-Ethoxycyclohexene-3-one3-Ethoxy-1-oxocyclohex-2-ene2-Cyclohexen-1-one,3-ethoxy-
3-ethoxycyclohex-2-en-1-one3-Ethoxy-2-cyclohexenoneMFCD000015803-Ethoxy-2-cyclohexene-1-one3-Ethoxy-cyclohex-2-enoneNSC-2826NSC28263-ethoxy-2-cyclohexen-one

Database identifiers

CAS
5323-87-5
PubChem CID
79216
DTXSID
DTXSID30201326
UNII
DV46J47XJS
EC Number
226-190-7
Nikkaji
J208.495C

Properties

Computed structural properties

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

Physicochemical properties

Boiling point
76 · 76-78 °C/1 mmHg (lit.)
Density
0.963 g/mL · 0.963 g/mL at 25 °C (lit.)
refractive index
1.503 · 1.503-1.505
Flash point
107 °C · 107 °C
storage temp.
2 · 2-8°C
form
Crystalline Powder

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；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 CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)

Safety data

PPE
Eyeshields, Gloves
wgk
3
hs_code
29145000
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25

Chemistry & industry

Applications · 1 item

Uses3-Ethoxy-2-cyclohexen-1-one is a useful intermediate for the preparation of 3-alkyl- or aryl-2-cyclohexen-1-ones, by addition of organometallic reagents and subsequent hydrolysis. It helps in kinetic enolate formation (LDA) and alkylation occurs at the 6-position, the Stork-Danheiser kinetic alkylation procedure, which has found extensive use in alicyclic synthesis.

Upstream & downstream products

Downstream products

Suppliers50 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [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]

Related reactions

47 records
New reaction record

Linked notes

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