5-methyl-5-hexen-2-one, 3240-09-3

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GSC103595104087 GSC103595104087
Product(s):
3240-09-3 5-Methyl-5-hexen-2-one

Penta International Corporation

Chemistry innovation
At Penta, our products and services help businesses do business better.
For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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GSC103595104087 GSC103595104087
Product(s):
13-51210 5-METHYL-5-HEXEN-2-ONE

Name:	5-methylhex-5-en-2-one
CAS Number:	3240-09-3	3D/inchi
ECHA EINECS - REACH Pre-Reg:	221-807-6
FDA UNII:	6OVV4Q22O6
Nikkaji Web:	J262.347A
MDL:	MFCD00014995
CoE Number:	11150
XlogP3-AA:	1.60 (est)
Molecular Weight:	112.17184000
Formula:	C7 H12 O
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:flavor and fragrance agents

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	1119 5-methyl-5-hexen-2-one
DG SANTE Food Flavourings:	07.100 5-methylhex-5-en-2-one
FEMA Number:	3365 5-methyl-5-hexen-2-one
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	3240-09-3 ; 5-METHYL-5-HEXEN-2-ONE

Physical Properties:

Appearance:	colorless to pale yellow clear liquid (est)
Assay:	97.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.86200 to 0.86800 @ 25.00 °C.
Pounds per Gallon - (est).:	7.173 to 7.223
Refractive Index:	1.42800 to 1.43300 @ 20.00 °C.
Boiling Point:	148.00 to 149.00 °C. @ 760.00 mm Hg
Vapor Pressure:	4.453000 mmHg @ 25.00 °C. (est)
Flash Point:	108.00 °F. TCC ( 42.22 °C. )
logP (o/w):	1.439 (est)
Soluble in:
	alcohol
	water, 4177 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: fatty

Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less

Substantivity:1 hour(s) at 100.00 %

green weedy foliage vegetable

Odor Description:at 10.00 % in dipropylene glycol. green weedy foliage vegetable
Luebke, William tgsc, (2007)

Odor sample from: Sigma-Aldrich, Inc.: Aldrich

Flavor Type: ethereal

ethereal fruity tropical green banana vegetable

Taste Description: ethereal fruity tropical green banana vegetable
Luebke, William tgsc, (2007)

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

5-Methyl-5-hexen-2-one

Parchem

5-methyl-5-hexen-2-one

Penta International

5-METHYL-5-HEXEN-2-ONE

Santa Cruz Biotechnology

For experimental / research use only.

5-Methyl-5-hexen-2-one

Sigma-Aldrich: Aldrich

For experimental / research use only.

5-Methyl-5-hexen-2-one 99%

sds

Safety Information:

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable. R 22 - Harmful if swallowed. R 41 - Risk of serious damage to eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 5-methyl-5-hexen-2-one usage levels up to:
	1.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.24 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		0.30 (μg/capita/day)
Threshold of Concern:		540 (μg/person/day)
Structure Class:		II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 6
Click here to view publication 6
		average usual ppm	average maximum ppm
baked goods:		-	0.75000
beverages(nonalcoholic):		-	0.12000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	0.25000
fruit ices:		-	0.25000
gelatins / puddings:		-	0.25000
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	0.40000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	0.12000
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		-	-
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

Safety References:

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 (2012)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):3240-09-3

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :228604

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 1224

WGK Germany:2

5-methylhex-5-en-2-one

Chemidplus:0003240093

References:

	5-methylhex-5-en-2-one
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	3240-09-3
Pubchem (cid):	228604
Pubchem (sid):	135263339

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):	View
HMDB (The Human Metabolome Database):	HMDB31551
FooDB:	FDB008163
Export Tariff Code:	2914.19.0000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View