Non-3-en-2-one

HCID 26630
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
14309-57-0
Standard SMILES
CCCCCC=CC(C)=O
InChIKey
HDKLIZDXVUCLHQ-UHFFFAOYSA-N
Molecular formula
C9H16O
Average molar mass
140.22 g/mol
Monoisotopic mass
140.12011513

Overview

3-Nonen-2-one has been reported in Centella asiatica and Polygala senega with data available.

Names & identifiers

Preferred name
Non-3-en-2-one
IUPAC
non-3-en-2-one
English name
3-Nonen-2-one
Molecular formula
C9H16O
Molecular weight
140.22

Names & synonyms

non-3-en-2-oneRefChem:854439238-248-9NonenoneSCHEMBL159645AKOS028108408NS00021655TRANS-3-NONEN-2-ONEFEMA 3955Non-3-en-2-on3-NONEN-2-ONE3-Nonen-2-one>(3E)-3-Nonen-2-one
Show more names
3-Nonen-2-one solution

Database identifiers

CAS
14309-57-0
PubChem CID
26630
DTXSID
DTXSID2065753
EC Number
238-248-9

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
10

Experimental & physicochemical properties

Density0.843-0.846
Flavoring AgentsEU Flavoring substances
Solubility · 2 items

insoluble in water; soluble in fats

Miscible at room temperature (in ethanol)

Boiling Point198 °C
Refractive Index1.443-1.452
Physical DescriptionColourless liquid; fruity-berry

Physicochemical properties

Boiling point
85 °C12 · 85 °C12 mm Hg(lit.)
Density
0.848 g/mL · 0.848 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.449(lit.)
FEMA
3955 · 3955 | 3-NONEN-2-ONE
FLAVIS Number
7.188 · 07.188 | Non-3-en-2-one
Flash point
179 °F · 179 °F

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 9.3% (136 of 1461) of reports.

Warning

H319 (90.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 1461 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesEye Irrit. 2 (90.7%)

Safety data

wgk
3
tsca
TSCA listed
ridadr
UN1197 - class 3 - PG 2 - VP <= 110kPa - Extracts, flavoring, liquid
hs_code
2914199090
risk_code
11
Signal word
Danger

Chemistry & industry

Uses & manufacturing

Use ClassificationFlavoring Agents -> JECFA Flavorings Index

Applications

Uses3-Nonen-2-one is a useful organic building block.

Upstream & downstream products

Suppliers74 total

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]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Additional notes

DefinitionChEBI: (3E)-3-nonen-2-one is an enone that is (E)-3-nonene in which the two methylene hydrogens at position 2 have been replaced by an oxo group. It has a role as an EC 2.5.1.18 (glutathione transferase) inhibitor and a fumigant.

Related reactions

4 records
New reaction record

Compound notes

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