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5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one

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BOC Sciences

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BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services.
BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
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CODE150785 CODE150785
Product(s):
17369-60-7 5-ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one 95%

Chemical sources Association Inc

Exchange of knowledge

Need This Item for Flavor? You can contact the Chemical Sources Association.

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CODE150785 CODE150785

Product(s):

Lluch Essence S.L.

A family company dedicated to sales and distribution
Flexibility, availability, price and quality.
Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world.
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Voice: 34 93 379 38 49
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CODE150785 CODE150785
Product(s):
TETRAMETHYL ETHYL CYCLOHEXENONE

Name:	5-ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one
CAS Number:	17369-60-7	3D/inchi
ECHA EINECS - REACH Pre-Reg:	241-403-3
FDA UNII:	9MM11393HF
Nikkaji Web:	J287.027D
CoE Number:	168
XlogP3-AA:	2.90 (est)
Molecular Weight:	180.29060000
Formula:	C12 H20 O
NMR Predictor:	Predict (works with chrome, Edge or firefox)
Also(can) Contains:	5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
EFSA/JECFA Comments:
Mixture of of 5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one and 5-ethyl-3,4,5,6-tetramethyl-2-cyclohexen-1-one. The predominant constituent is 5-ethyl-3,4,5,6-tetramethyl-2-cyclohexen-1-one. Mixture of diastereoisomers in approximately equal ratios (EFFA, 2012b).

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:	1111 tetramethylethylcyclohexenone (mixture of isomers)
DG SANTE Food Flavourings:	07.035 tetramethylethylcyclohexenone (mixture of isomers)
FEMA Number:	3061 tetramethylethylcyclohexenone (mixture of isomers)
FDA:	No longer provide for the use of these seven synthetic flavoring substances

Physical Properties:

Appearance:	colorless to pale yellow clear oily liquid (est)
Assay:	97.00 to 100.00 sum of isomers
Food Chemicals Codex Listed:	No
Specific Gravity:	0.92700 to 0.93400 @ 25.00 °C.
Pounds per Gallon - (est).:	7.714 to 7.772
Refractive Index:	1.48500 to 1.49000 @ 20.00 °C.
Boiling Point:	113.00 to 115.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.028000 mmHg @ 25.00 °C. (est)
Flash Point:	224.00 °F. TCC ( 106.67 °C. )
logP (o/w):	2.981 (est)
Soluble in:
	alcohol
	water, slightly
	water, 18.21 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: caramellic

caramellic fruity spicy

Odor Description:at 10.00 % in propylene glycol. caramel fruity spicy

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

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

5-ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one 95%

Lluch Essence

TETRAMETHYL ETHYL CYCLOHEXENONE

Odor: FRESH, HERBACEOUS, HONEY

Parchem

5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one

Chemical Sources Association

Need This Item for Flavor/Food?: You can contact the Chemical Sources Association

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:
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-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one usage levels up to:
	2.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		7.80 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		0.20 (μg/capita/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: 3
Click here to view publication 3
		average usual ppm	average maximum ppm
baked goods:		-	30.00000
beverages(nonalcoholic):		-	5.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	30.00000
fruit ices:		-	30.00000
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	30.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	-
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):

Flavouring Group Evaluation 212: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 212 Revision 1 (FGE.212Rev1): alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 51, Revision 1 (FGE.51Rev1): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by the JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev3 (2011)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 212 Revision 3 (FGE.212Rev3): a,�-unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19
View page or View pdf

Flavouring Group Evaluation 51, Revision 2 (FGE.51Rev2): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev6 (2015)
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :86558

National Institute of Allergy and Infectious Diseases:Data

5-ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one

Chemidplus:0017369607

References:

	5-ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	86558
Pubchem (sid):	135044447

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
HMDB (The Human Metabolome Database):	Search
ChemSpider:	View