2-ethyl-2-heptenal

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CODE102268 CODE102268
Product(s):

Name:	2-ethylhept-2-enal
CAS Number:	10031-88-6	3D/inchi
FDA UNII:	Search
CoE Number:	120
XlogP3-AA:	2.90 (est)
Molecular Weight:	140.22572000
Formula:	C9 H16 O
NMR Predictor:	Predict (works with chrome, Edge or firefox)
Name:	(E)-2-ethylhept-2-enal
CAS Number:	34210-19-0	3D/inchi
FDA UNII:	02V559K729
Nikkaji Web:	J1.536.618D
XlogP3-AA:	2.90 (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-ethylhept-(2E)-enal and the CAS number to 34210-19-0, according to the specifcations provided (Documentation provided to EFSA nr: 1) 90% (E)-isomer 5% (Z)-isomer

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
JECFA Food Flavoring:	1216 2-ethyl-2-heptenal
DG SANTE Food Flavourings:	05.033 2-ethylhept-2-enal
FEMA Number:	2438 2-ethyl-2-heptenal
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	10031-88-6 ; 2-ETHYL-2-HEPTENAL
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	97.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.89100 to 0.89800 @ 25.00 °C.
Pounds per Gallon - (est).:	7.414 to 7.472
Refractive Index:	1.46000 to 1.46600 @ 20.00 °C.
Boiling Point:	55.00 to 60.00 °C. @ 4.00 mm Hg
Acid Value:	3.00 max. KOH/g
Vapor Pressure:	0.271000 mmHg @ 25.00 °C. (est)
Flash Point:	138.00 °F. TCC ( 58.89 °C. )
logP (o/w):	3.228 (est)
Soluble in:
	alcohol
	water, 183.4 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: green

sharp green

Odor Description:at 1.00 % in dipropylene glycol. sharp green

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

Cosmetic Information:

None found

Suppliers:

Parchem

2-ethyl-2-heptenal

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 2-ethyl-2-heptenal usage levels up to:
	not for fragrance use.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		0.10 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI):		5400 (μg/person/day)
Threshold of Concern:		90 (μg/person/day)
Structure Class:		III
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:		-	-
beverages(nonalcoholic):		-	0.40000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	-
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		0.03000	2.00000
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:		-	-

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):		7.00000	8.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0):		7.00000	8.00000
Edible ices, including sherbet and sorbet (03.0):		7.00000	8.00000
Processed fruit (04.1):		-	-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2):		7.00000	8.00000
Confectionery (05.0):		33.00000	37.00000
Chewing gum (05.3):		-	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0):		7.00000	8.00000
Bakery wares (07.0):		21.00000	29.00000
Meat and meat products, including poultry and game (08.0):		7.00000	8.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0):		7.00000	8.00000
Eggs and egg products (10.0):		7.00000	8.00000
Sweeteners, including honey (11.0):		7.00000	8.00000
Salts, spices, soups, sauces, salads, protein products, etc. (12.0):		1.00000	2.00000
Foodstuffs intended for particular nutritional uses (13.0):		-	-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1):		5.00000	6.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2):		1.00000	2.00000
Ready-to-eat savouries (15.0):		1.00000	2.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0):		7.00000	8.00000

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 ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :61449

National Institute of Allergy and Infectious Diseases:Data

2-ethylhept-2-enal

Chemidplus:0010031886

(E)-2-ethylhept-2-enal

Chemidplus:0034210190

References:

	2-ethylhept-2-enal
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	10031-88-6
Pubchem (cid):	61449
Pubchem (sid):	126675200
	(E)-2-ethylhept-2-enal
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	34210-19-0
Pubchem (cid):	6435838
Pubchem (sid):	197706

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):	HMDB37150
FooDB:	FDB016145
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View