4-acetyl-1,4-dimethyl-1-cyclohexene

flavoring agents

2D:
3D:
CAS Number:	43219-68-7
ECHA EC Number:	256-150-4
FDA UNII:	US73ACJ84D
CoE Number:	11062
Category:	flavoring agents
IUPAC Name:	4-acetyl-1,4-dimethyl-1-cyclohexene
InChI :	InChI=1/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3
Std.InChI:	InChI=1S/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3
InChIKey :	BIUSXTISNNLMOR-UHFFFAOYAK
Std.InChIKey:	BIUSXTISNNLMOR-UHFFFAOYSA-N
SMILES :	CC1=CCC(CC1)(C)C(=O)C
Molar Refractivity :	45.79 ± 0.3 cm3 (est)
Parachor :	386.2 ± 6.0 cm3 (est)
Index of Refraction :	1.459 ± 0.02 (est)
Surface Tension :	28.3 ± 3.0 dyne/cm (est)
Density :	0.909 ± 0.06 g/cm3 (est)
Polarizability :	18.15 ± 0.5 10-24cm3 (est)

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:	402 1,4-dimethyl-4-acetyl-1-cyclohexene
FEMA Number:	3449 1,4-dimethyl-4-acetyl-1-cyclohexene
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	43219-68-7 ; 1,4-DIMETHYL-4-ACETYL-1-CYCLOHEXENE

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	98.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.93000 to 0.93600 @ 25.00 °C.
Pounds per Gallon - (est).:	7.739 to 7.788
Refractive Index:	1.46800 to 1.47300 @ 20.00 °C.
Boiling Point:	208.00 to 211.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.253000 mmHg @ 25.00 °C. (est)
Flash Point:	163.00 °F. TCC ( 72.78 °C. )
logP (o/w):	2.558 (est)
Soluble in:
	alcohol
	water, 289.5 mg/L @ 25 °C (est)
Insoluble in:
	water

Cosmetic Information:

None found

Suppliers:

Axsyn

For experimental / research use only.

Ethanone,1-(1,4-dimethyl-3-cyclohexen-1-yl)-

BOC Sciences

For experimental / research use only.

1-(1,4-Dimethylcyclohex-3-en-1-. yl)ethan-1-one

Parchem

4-acetyl-1,4-dimethyl-1-cyclohexene

Safety Information:


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:
flavoring agents
Recommendation for 4-acetyl-1,4-dimethyl-1-cyclohexene usage levels up to:
	not for fragrance use.

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: 9
Click here to view publication 9
		average usual ppm	average maximum ppm
baked goods:		-	3.00000
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	2.00000
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	2.00000
fruit ices:		-	2.00000
gelatins / puddings:		-	2.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	-
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	2.00000
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		-	-
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):43219-68-7

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :65289

National Institute of Allergy and Infectious Diseases:Data

1-(1,4-dimethyl-1-cyclohex-3-enyl)ethanone

Chemidplus:0043219687

References:

	1-(1,4-dimethyl-1-cyclohex-3-enyl)ethanone
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	43219-68-7
Pubchem (cid):	65289
Pubchem (sid):	135021696

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):	HMDB37024
FooDB:	FDB016004
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components :

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):

	hyssopus officinalis oil CO2 extract @ 0.1% Data GC Search Trop Picture
	juniper oil Search Trop Picture

Synonyms:

1-(1,4-	dimethyl cyclohex-3-en-1-yl) ethan-1-one
1,4-	dimethyl cyclohex-3-enyl methyl ketone
1-(1,4-	dimethyl-1-cyclohex-3-enyl) ethanone
1-(1,4-	dimethyl-1-cyclohex-3-enyl)ethanone
1-(1,4-	dimethyl-3-cyclohexen-1-yl) ethanone
1-(1,4-	dimethyl-3-cyclohexen-1-yl)ethanone
1,4-	dimethyl-3-cyclohexenyl methyl ketone
1,4-	dimethyl-4-acetyl-1-cyclohexene
1,4-	dimethyl-4-acetylcyclohexene
1,4-	dimethyl-d-3-tetrahydroacetophenone
1,4-	dimethyl-delta.-3-tetrahydroacetophenone
1-(1,4-	dimethylcyclohex-3-en-1-yl)ethan-1-one
1-(1,4-	dimethylcyclohex-3-en-1-yl)ethanone
1,4-	dimethylcyclohex-3-enyl methyl ketone
	ethanone, 1-(1,4-dimethyl-3-cyclohexen-1-yl)-
	ketone, 1-(1,4-dimethyl-3-cyclohexen-1-yl) methyl

Articles:

None found yet. Try the PubMed Search.

CONTENTS

EU/US Properties EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles