(E)-2-methyl-2-octenal
(E)-2-methyloct-2-enal
 
Notes:
None found
  • BOC Sciences
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      Product(s):
      49576-57-0 (E)-2-Methyloct-2-enal
       
  • CSA
  • Penta International
    • Penta International Corporation
      Chemistry innovation
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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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      Product(s):
      13-60470 2-METHYL-2-OCTENAL
       
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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, 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
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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
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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).
 
 
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Cosmetic Information:
None found
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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 CSA
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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
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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 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: --
 
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 5.0300011.86000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.500004.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.75000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 4.780005.00000
Confectionery (05.0): 5.0000014.22000
Chewing gum (05.0): 2.200009.56000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 3.7900011.40000
Bakery wares (07.0): 6.2000017.17000
Meat and meat products, including poultry and game (08.0): 0.790003.50000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.500001.75000
Eggs and egg products (10.0): 0.010003.00000
Sweeteners, including honey (11.0): 0.510004.38000
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 1.750005.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.010005.01000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.000004.43000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000002.00000
Ready-to-eat savouries (15.0): 2.000003.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.500000.50000
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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
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References:
 (E)-2-methyloct-2-enal
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 49576-57-0
Pubchem (cid): 5362580
Pubchem (sid): 135118520
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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
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-tiglaldehydeFL/FR
animal
para-cresyl isobutyrateFL/FR
balsamic
isoamyl benzoateFL/FR
 fir carboxylateFR
caramellic
 maltyl isobutyrateFL/FR
citrus
2-heptanolFL/FR
ethereal
2-methyl valeraldehydeFL/FR
fatty
3-decen-2-oneFL/FR
 hexyl pivalateFR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
fermented
3-methyl-1-pentanolFL/FR
floral
alpha-amyl cinnamaldehyde diethyl acetalFR
 boronia absoluteFL/FR
 citronellyl propionateFL/FR
gamma-damasconeFR
6,8-dimethyl-2-nonanolFR
(E)-geranyl acetoneFL/FR
 lily propanolFR
 papaya isobutyrateFL/FR
 phenethyl acetateFL/FR
fruity
 acetaldehyde dihexyl acetalFL/FR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
isoamyl butyrateFL/FR
 amyl hexanoateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 berry pentadienoateFL/FR
 butyl 2-methyl butyrateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 geranyl isovalerateFL/FR
 geranyl methyl tiglate 
 heptanal cyclic ethylene acetalFR
 heptyl isobutyrateFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl 3-nonenoateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
 nerolidyl isobutyrateFR
 octen-1-yl cyclopentanoneFL/FR
2-pentyl furanFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 rhubarb undecaneFR
 tetrahydrofurfuryl butyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
 cognac heptanoneFL/FR
alpha-decalactoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 green dioxolaneFR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
2-hexenyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 manzanate (Givaudan)FL/FR
 methyl R-3-acetoxyhexanoate 
1-penten-3-olFL/FR
(E)-2-pentenalFL/FR
 phenoxyethyl isobutyrateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
 sorbyl isobutyrateFL/FR
 thiogeraniolFL/FR
 violet dienyneFR
herbal
 marigold oil mexicoFL/FR
 tagete oil indiaFL/FR
 tricyclodecyl acetateFR
 viridiflorolFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 passiflora acetateFL/FR
tropical
beta-cyclocitralFL/FR
 tropical 3-thiobutyrateFL/FR
waxy
9-decenoic acidFL/FR
(E,E)-2,4-dodecadien-1-ol 
(E)-methyl geranateFL/FR
 octyl 2-methyl butyrateFL/FR
woody
 verdoxanFR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 allyl tiglateFL
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
(E,E)-2,4-dodecadien-1-ol 
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3-octenoateFL
(E,E)-2,4-heptadien-1-olFL
2-hexenalFL
2-hexenal diethyl acetalFL
2-hexenyl acetateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 4-pentenoateFL
(E)-methyl geranateFL/FR
3-methyl-3-pentanolFL
(E,E)-3,5-octadien-2-oneFL
4-phenyl-2-butyl acetateFL/FR
 prenyl hexanoateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
(E)-tiglaldehydeFL/FR
 viridiflorolFL/FR
 sorbyl isobutyrateFL/FR
alliaceous
 tropical thiazoleFL/FR
aromatic
para-cresyl isobutyrateFL/FR
berry
 heptyl isobutyrateFL/FR
citrus
 cognac heptanoneFL/FR
cooling
 manzanate (Givaudan)FL/FR
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetateFL/FR
fatty
 ethyl (E)-4-decenoateFL/FR
floral
 citronellyl propionateFL/FR
(E)-geranyl acetoneFL/FR
 tropical iononeFL/FR
fruity
isoamyl benzoateFL/FR
 amyl hexanoateFL/FR
isoamyl octanoateFL/FR
 berry pentadienoateFL/FR
 boronia absoluteFL/FR
 butyl 2-methyl butyrateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-octenoateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 furfuryl propionateFL
 geranyl methyl tiglate 
2-heptanolFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 pineapple pentenoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
green
 acetaldehyde dihexyl acetalFL/FR
 allyl butyrateFL/FR
isoamyl isovalerateFL/FR
 cassis pentanoneFL/FR
3-decen-2-oneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 geranyl isovalerateFL/FR
 heptanal dimethyl acetalFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl (E)-tiglateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 methyl 2-undecynoateFL
 methyl R-3-acetoxyhexanoate 
 papaya isobutyrateFL/FR
1-penten-3-olFL/FR
(E)-2-pentenalFL/FR
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
 thiogeraniolFL/FR
herbal
 marigold oil mexicoFL/FR
 tagete oil indiaFL/FR
honey
 phenethyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
rummy
(E)-2-hexen-1-yl formateFL/FR
sour
3-methyl valeric acidFL
sulfurous
 buchu mercaptanFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
beta-cyclocitralFL/FR
 passiflora acetateFL/FR
vegetable
2-methyl valeraldehydeFL/FR
waxy
isoamyl butyrateFL/FR
9-decenoic acidFL/FR
 octyl 2-methyl butyrateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
 
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Potential Uses:
 fruitFR
 greenFL
 tropicalFL
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Occurrence (nature, food, other): note
 not found in nature
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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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