(E)-2-methyl-2-octenal, 49576-57-0

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CODE103757 CODE103757
Product(s):
49576-57-0 (E)-2-Methyloct-2-enal

Chemical sources Association Inc

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Need This Item for Flavor? You can contact the Chemical Sources Association.
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Product(s):

Penta International Corporation

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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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CODE103757 CODE103757
Product(s):
13-60470 2-METHYL-2-OCTENAL

Name:	(E)-2-methyloct-2-enal
CAS Number:	49576-57-0	3D/inchi
ECHA EINECS - REACH Pre-Reg:	256-386-8
FDA UNII:	964SLD7H63
Nikkaji Web:	J319.981I
CoE Number:	10363
XlogP3-AA:	3.00 (est)
Molecular Weight:	140.22572000
Formula:	C9 H16 O
NMR Predictor:	Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
The chemical name should be changed to 2-methyloct-(2E)-enal in accordance with the CAS number; the purity requirement for the named compound [FL-no: 05.126] should be updated to �90% (E-isomer) SC: 10% (E)-2-methyloct-2-enoic acid methyl ester�, according to the specifcations provided. (Documentationprovided to EFSA nr: 1) 90% (E)-isomer SC: 10% (E)-2-methyloct-2-enoic acid methyl ester

Category:flavoring 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
DG SANTE Food Flavourings:	05.126 (E)-2-methyloct-2-enal
FEMA Number:	3711 (E)-2-methyl-2-octenal
FDA:	No longer provide for the use of these seven synthetic flavoring substances

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	96.00 to 100.00 sum of isomers
Food Chemicals Codex Listed:	No
Specific Gravity:	0.87200 to 0.88200 @ 25.00 °C.
Pounds per Gallon - (est).:	7.256 to 7.339
Refractive Index:	1.44900 to 1.45900 @ 20.00 °C.
Boiling Point:	70.00 to 75.00 °C. @ 8.00 mm Hg
Acid Value:	4.00 max. KOH/g
Vapor Pressure:	0.271000 mmHg @ 25.00 °C. (est)
Flash Point:	138.00 °F. TCC ( 58.89 °C. )
logP (o/w):	3.191 (est)
Soluble in:
	alcohol
	water, 183.4 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: fruity

fruity green

Odor Description:at 10.00 % in dipropylene glycol. fruity green

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

Cosmetic Information:

None found

Suppliers:

Axsyn

For experimental / research use only.

2-Octenal, 2-methyl-,(2E)-

BOC Sciences

For experimental / research use only.

(E)-2-Methyloct-2-enal

Penta International

2-METHYL-2-OCTENAL

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:
flavoring agents
Recommendation for (E)-2-methyl-2-octenal usage levels up to:
	not for fragrance use.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.06 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		7.90 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI):		1700 (μg/person/day)
Threshold of Concern:		1800 (μg/person/day)
Structure Class:		I
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: 13
Click here to view publication 13
		average usual ppm	average maximum ppm
baked goods:		-	1.00000
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		-	0.50000
cheese:		-	1.00000
chewing gum:		-	-
condiments / relishes:		-	0.50000
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	0.50000
fish products:		-	0.50000
frozen dairy:		-	1.50000
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	1.00000
hard candy:		-	-
imitation dairy:		-	0.50000
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	1.50000
milk products:		-	0.50000
nut products:		-	0.50000
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	0.10000
snack foods:		-	1.50000
soft candy:		-	-
soups:		-	1.00000
sugar substitutes:		-	-
sweet sauces:		-	-

Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
		average usage mg/kg	maximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0):		5.03000	11.86000
Fats and oils, and fat emulsions (type water-in-oil) (02.0):		0.50000	4.00000
Edible ices, including sherbet and sorbet (03.0):		0.50000	2.75000
Processed fruit (04.1):		-	-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2):		4.78000	5.00000
Confectionery (05.0):		5.00000	14.22000
Chewing gum (05.3):		2.20000	9.56000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0):		3.79000	11.40000
Bakery wares (07.0):		6.20000	17.17000
Meat and meat products, including poultry and game (08.0):		0.79000	3.50000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0):		0.50000	1.75000
Eggs and egg products (10.0):		0.01000	3.00000
Sweeteners, including honey (11.0):		0.51000	4.38000
Salts, spices, soups, sauces, salads, protein products, etc. (12.0):		1.75000	5.00000
Foodstuffs intended for particular nutritional uses (13.0):		0.01000	5.01000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1):		2.00000	4.43000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2):		1.00000	2.00000
Ready-to-eat savouries (15.0):		2.00000	3.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0):		0.50000	0.50000

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 201: 2-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.2 of FGE.19[1]
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 201 Revision 1 (FGE.201Rev1): 2-Alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 201 Revision 2 (FGE.201Rev2): 2-alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 72, Revision 2 (FGE.72Rev2): consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (61st, 68th and 69th meetings) and structurally related to flavouring substances in FGE.05Rev3
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):49576-57-0

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :5362580

National Institute of Allergy and Infectious Diseases:Data

(E)-2-methyloct-2-enal

Chemidplus:0049576570

References:

	(E)-2-methyloct-2-enal
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	49576-57-0
Pubchem (cid):	5362580
Pubchem (sid):	135118520

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