3-Methoxycyclohex-2-en-1-one

3-Methoxy-2-cyclohexenone · 3-methoxycyclohex-2-en-1-one · Einecs 240-837-0 · 3-Methoxycyclohex-2-enone · 3-METH0XYCYCL0HEX-2-EN0NE · 1-Methoxycyclohexene-3-one · 3-METHOXY-2-CYCLOHEXEN-1-ONE · 2-Cyclohexen-1-one, 3-methoxy-

https://huagongshe.com/en/chemical/85597

3-Methoxycyclohex-2-en-1-one molecular structure

Identifiers & Physical Properties

CAS No.	16807-60-6
Molecular formula	C7H10O2
Average molar mass	126.15 g/mol
Monoisotopic mass	126.06807956 g/mol
SMILES	COC1=CC(=O)CCC1
InChIKey	JFTPIEHHCQPVCS-UHFFFAOYSA-N
PubChem CID	85597
EC No.	240-837-0
DTXSID	DTXSID40168471

Chemical & Physical Properties

XLogP	0.6
Topological polar surface area	26.3
Hydrogen bond donors	0
Hydrogen bond acceptors	2
Rotatable bonds	1
Heavy atoms	9
Formal charge	0
Complexity	147
Melting point	30-31 °C
Boiling point	233℃
Density	1.03
Flash point	104℃
Storage conditions	Store below +30°C.
Appearance	Colorless to off-white 31°C Liquid
FDA UNII	TGG9T84Q2V
UNSPSC Code	12352115
NACRES	NA.22
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H302-H315-H319-H335
GHS precautionary statements	P261-P305+P351+P338

Safety & Regulations

GHS classification	WarningH315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory information	3-Methoxycyclohex-2-en-1-one: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Skin Irrit. 2 (66.7%)
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H302-H315-H319-H335
GHS precautionary statements	P261-P305+P351+P338

Applications & Uses

Uses

3-Methoxy-2-cyclohexen-1-one is an analgesics glorify intermediate for Zeno.