2-Decanone

HCID 12741CAS 693-54-9
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCC(C)=O
InChIKey
ZAJNGDIORYACQU-UHFFFAOYSA-N
Molecular formula
C10H20O
Average molar mass
156.26 g/mol
Monoisotopic mass
156.15141526

Overview

Decan-2-one is a methyl ketone that is decane in which the methylene hydrogens at position 2 are replaced by an oxo group. It has a role as a plant metabolite. It derives from a hydride of a decane.

Names & identifiers

Preferred name
2-Decanone
IUPAC
decan-2-one
English name
2-Decanone
Molecular formula
C10H20O
Molecular weight
156.27

Names & synonyms

2-DecanoneDecan-2-oneDTXSID9022104UNII-GX543OLT0RGX543OLT0REINECS 211-752-6BRN 1747463CHEBI:779292-DECANONE [FHFI]DTXCID002104FEMA NO. 42714-01-00-03367 (Beilstein Handbook Reference)
Show more names
DECANONE463582-Decanonecan-2-one2-Oxodecane2-decanone+A8
Methyl noctyl ketoneRefChem:86659ZAJNGDIORYACQU-UHFFFAOYSA-N693-54-9METHYL OCTYL KETONEMethyl n-octyl ketoneOctyl methyl ketonen-C8H17COCH3

Database identifiers

CAS
693-54-9
PubChem CID
12741
DTXSID
DTXSID9022104
ChEMBL
CHEMBL47127
ChEBI
CHEBI:77929
UNII
GX543OLT0R
EC Number
211-752-6
Nikkaji
J79.790A

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
7
Heavy atoms
11

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SolventsSolvents -> Ketones (<C12)
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (2-Decanone) -> IFRA transparency List
LogP · 2 items

3.73

3.78

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Physicochemical properties

Melting point
3.5 °C · 3.5 °C (lit.)
Boiling point
211 °C · 211 °C (lit.)
Density
0.825 g/mL · 0.825 g/mL at 25 °C (lit.)
vapor density
1 · >1 (vs air)
refractive index
20 · n20/D 1.425(lit.)
FEMA
4271 · 4271 | 2-DECANONE

Safety & regulation

GHS classification

GHS Classification · 4 items

This chemical does not meet GHS hazard criteria for 11.2% (163 of 1451) of reports.

H411 (88.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1451 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: 2-Decanone

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Decanone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAquatic Chronic 2 (88.8%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

F
10-23
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
tsca
TSCA listed
rtecs
HE0725000
ridadr
NA 1993 / PGIII

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

Use Classification · 3 items

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information2-Decanone: ACTIVE
Applications · 4 items

OccurrenceReported found in rue oil China (1.31%), rue flower oil Colombia (1.25%), rue oil Cuba (0.72%), ambrette seed oil (0.10%), Croton flavens L. (Welensali) leaf oil Curacao (0.10%), cascarilla bark oil (0.06%) and violet flower absolute.

Uses2-Decanone was used in the synthesis of:brushed block copolymers via conjugation through an acid-labile hydrazone linker to poly(ethylene glycol)-poly(aspartate hydrazide) block copolymersmethyl ketones

Uses2-Decanone was used in the synthesis of brushed block copolymers via conjugation through an acid-labile hydrazone linker to poly(ethylene glycol)-poly(aspartate hydrazide) block copolymers; methyl ketones. 2-decanone is used as a solvent and an intermediate in synthesising pharmaceuticals and agrochemicals. 2-Decanone has very interesting effects, along with Oakmoss, one of the few materials sufficiently effective as a fixative for ketone. The well-known and highly appreciated topnotes of good quality Oakmoss are enhanced and beautified by small amounts of this ketone. It also finds limited application in flavours, particularly in imitation Coconut and Banana, where its dry-fruity character lends desirable notes.

General Description2-Decanone is a constituent of the essential oil of Ruta chalepensis L., which is used in the production of food, drugs and perfumery.

Upstream & downstream products

Downstream products

Suppliers50 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]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Additional notes

DefinitionChEBI: A methyl ketone that is decane in which the methylene hydrogens at position 2 are replaced by an oxo group.

Related reactions

19 records
New reaction record

Linked notes

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