EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

(E)-2-methyl-2-octenal
(E)-2-methyloct-2-enal

Sponsors

Name:(E)-2-methyloct-2-enal
CAS Number: 49576-57-0Picture of molecule3D/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 or firefox)
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
FLAVIS Number:05.126 (Old)
DG SANTE Food Flavourings:05.126 (E)-2-methyloct-2-enal
FEMA Number:3711 (E)-2-methyl-2-octenal
 
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 mm/Hg @ 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
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
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): 0.0 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 7.90 (μg/capita/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
 average usual ppmaverage 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: --
 
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
EPI System: View
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 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
balsamic
fir carboxylate
FR
fatty
hexyl pivalate
FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
gamma-
damascone
FR
6,8-
dimethyl-2-nonanol
FR
lily propanol
FR
fruity
allyl amyl glycolate
FR
ethyl 2-cyclohexyl propionate
FR
ethyl 3,5,5-trimethyl hexanoate
FR
heptanal cyclic ethylene acetal
FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
nerolidyl isobutyrate
FR
rhubarb undecane
FR
tropical indene
FR
green
acetaldehyde methyl hexyl acetal
FR
green dioxolane
FR
violet dienyne
FR
herbal
tricyclodecyl acetate
FR
woody
verdoxan
FR
woody acetate
FR
For Flavor
No flavor group found for these
allyl tiglate
FL
ethyl 3-octenoate
FL
(E,E)-2,4-
heptadien-1-ol
FL
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
hexyl (E)-2-hexenoate
FL
methyl 4-pentenoate
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
earthy
earthy
1-
hexen-3-yl acetate
FL
fruity
ethyl (E)-2-octenoate
FL
furfuryl propionate
FL
methyl (E)-3-nonenoate
FL
green
(E)-2-
hexenal diethyl acetal
FL
methyl 2-undecynoate
FL
sour
3-
methyl valeric acid
FL
sulfurous
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
 
Potential Uses:
 fruit
FLgreen
FLtropical
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
(E)-2-methyl oct-2-enal
(E)-2-methyl-2-octen-1-al
(2E)-2-methyloct-2-enal
(E)-2-methyloct-2-enal
2-octenal, 2-methyl-, (2E)-
2-octenal, 2-methyl-, (E)-
 

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