6-Undecanone

HCID 13561
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
71808-49-6
Standard SMILES
CCCCCC(=O)CCCCC
InChIKey
ZPQAKYPOZRXKFA-UHFFFAOYSA-N
Molecular formula
C11H22O
Average molar mass
170.29 g/mol
Monoisotopic mass
170.16706532

Overview

6-Undecanone is a ketone.

Names & identifiers

Preferred name
6-Undecanone
IUPAC
undecan-6-one
English name
Ketones, C11
Molecular formula
C11H22O
Molecular weight
170.29178

Names & synonyms

6-UNDECANONEUndecan-6-oneDipentyl ketoneDiamyl ketoneAmyl ketoneUNII-8JMD3E1SOO8JMD3E1SOOEINECS 213-150-9BRN 1749440AI3-042496-UNDECANONE [FHFI]DTXSID5061295
Show more names
Ketones, C11
FEMA NO. 40224-01-00-03376 (Beilstein Handbook Reference)RefChem:105297DTXCID9048809ZPQAKYPOZRXKFA-UHFFFAOYSA-N927-49-16-OxoundecanePentyl ketone

Database identifiers

CAS
71808-49-6、927-49-1
PubChem CID
13561
DTXSID
DTXSID5061295
ChEBI
CHEBI:165748
UNII
8JMD3E1SOO
EC Number
213-150-9
Nikkaji
J7.175G

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
8
Heavy atoms
12

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.826-0.836
Flavoring AgentsEU Flavoring substances
Solubility · 3 items

0.05 mg/mL at 25 °C

insoluble in water; soluble in fats and non-polar solvents

Miscible at room temperature (in ethanol)

Physicochemical properties

EPA Substance Registry System
11 · Ketones, C11 (71808-49-6)
Symbol(GHS)
7 · GHS07,GHS09
Signal word
Warning
Hazard statements
411 · H411-H336
Precautionary statements
261 · P261-P271-P304+P340-P312-P403+P233-P405-P501
TSCA
TSCA listed

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.

Not Classified

Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.

Warning

H227: Combustible liquid [Warning Flammable liquids]

P210, P280, P370+P378, P403, and P501 (click each P-code to see the statement)

Hazard information

Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and Categories · 2 items

Not Classified

Flammable liquids - Category 4

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07,GHS09
Hazard statements
H411-H336
Precautionary statements
P261-P271-P304+P340-P312-P403+P233-P405-P501

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

Use Classification · 5 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information6-Undecanone: ACTIVE

Suppliers100 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]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Additional notes

DefinitionChEBI: 6-Undecanone is a ketone.

Related reactions

14 records
New reaction record

Compound notes

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