2-heptenal
3-butyl acrolein
 
Notes:
Isol. from soya bean oil (Glycine max). Flavouring constit. of many foods
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      Product(s):
      2463-63-0 Hept-2-enal
       
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Synonyms   Articles   Notes   Search
CAS Number: 2463-63-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 219-563-0
Beilstein Number: 1745160
CoE Number: 730
XlogP3-AA: 2.10 (est)
Molecular Weight: 112.17184000
Formula: C7 H12 O
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: According to the specifcations provided (Documentation provided to EFSA nr: 1), this entry is synonymous with Hept-2(trans)-enal [FL-no: 05.150],also evaluated in FGE.71Rev1 95% (2E)-isomer
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
DG SANTE Food Flavourings: 05.070  2-heptenal
FDA Mainterm (SATF):2463-63-0 ; 2-HEPTENAL
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.85700 to 0.86300 @  25.00 °C.
Pounds per Gallon - (est).: 7.131 to  7.181
Refractive Index: 1.42800 to 1.43400 @  20.00 °C.
Boiling Point: 80.00 to  83.00 °C. @ 14.00 mm Hg
Boiling Point: 166.00 °C. @ 760.00 mm Hg
Vapor Pressure: 1.823000 mmHg @ 25.00 °C. (est)
Flash Point: 128.00 °F. TCC ( 53.33 °C. )
logP (o/w): 2.300 (est)
Soluble in:
 alcohol
 water, 1810 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: green
 
 green  fatty  
Odor Description:
at 0.10 % in dipropylene glycol. 
green fatty
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Hept-2-enal
Parchem
2-hepten-1-al
Penta International
TRANS-2-HEPTENAL NATURAL 1% IN ETHYL ALCOHOL
Penta International
TRANS-2-HEPTENAL NATURAL 10% IN ETHYL ACETATE
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: 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 2-heptenal usage levels up to:
  0.0200 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 8.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 30.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 510 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
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): 1.140005.48000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.780004.78000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.730004.78000
Bakery wares (07.0): 1.450009.22000
Meat and meat products, including poultry and game (08.0): 0.150001.03000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.050000.20000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.900004.24000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alpha,beta-unsaturated aldehydes and related substances used as flavor ingredients. View pdf
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):
EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 71 Revision 1 (FGE.71Rev1): consideration of aliphatic, linear, a,ß-unsaturated alcohols, aldehydes, carboxylic acids, and related esters evaluated by JECFA (63rd and 69th meeting) structurally related to flavouring substances evaluated in FGE.05Rev3
View page or View pdf
EPI System: View
Chemical Carcinogenesis Research Information System: Search
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 2463-63-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 17167
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 hept-2-enal
Chemidplus: 0002463630
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References:
 hept-2-enal
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 2463-63-0
Pubchem (cid): 17167
Pubchem (sid): 134982396
Flavornet: 2463-63-0
Pherobase: View
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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
FDA Substances Added to Food (formerly EAFUS): View
CHEBI: View
HMDB (The Human Metabolome Database): HMDB33827
FooDB: FDB011993
Export Tariff Code: 2912.19.9000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
aldehydic
aldehydic
 dodecanal (aldehyde C-12 lauric)FL/FR
 fresh carbaldehydeFR
 undecanalFL/FR
balsamic
 guaiyl acetateFL/FR
fatty
 allyl octanoateFL/FR
3-decen-2-oneFL/FR
 methyl 2-hexenoateFL/FR
(E)-2-nonenalFL/FR
2-octenalFL/FR
(E)-2-octenalFL/FR
floral
alpha-damasconeFL/FR
gamma-damasconeFR
 methyl citronellateFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 amyl 2-methyl butyrateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
isobutyl hexanoateFL/FR
isobutyl isovalerateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexenal dimethyl acetal 
 hexyl formateFL/FR
 methyl 2-methyl butyrateFL/FR
2-methyl butyl isovalerateFL/FR
 methyl butyrateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 nonyl isovalerateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 propyl heptanoateFL/FR
 propyl hexanoateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 tropical thiazoleFL/FR
green
 butyl heptanoateFL/FR
 dodecanal dimethyl acetalFL/FR
 heptanal cyclic propylene acetalFL/FR
3-heptanoneFL/FR
(Z)-4-heptenalFL/FR
2-heptyl furanFL/FR
 hexanal (aldehyde C-6)FL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexenal diethyl acetalFL/FR
4-hexenolFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
alpha-hexyl cinnamaldehyde dimethyl acetalFR
 hexyl isobutyrateFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
2-octen-1-olFL/FR
(E)-2-octen-1-yl acetateFL/FR
1-penten-3-olFL/FR
(E)-2-pentenalFL/FR
melon
(Z)-6-nonen-1-olFL/FR
minty
isopropyl tiglateFL/FR
sulfurous
 grapefruit menthaneFL/FR
3-(methyl thio) hexanolFL/FR
waxy
 ethyl decanoateFL/FR
2,4-nonadien-1-olFL/FR
woody
 marine formateFR
 
For Flavor
 
No flavor group found for these
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
 cyclohexyl butyrateFL/FR
 epoxy-2-decenalFL
2-ethyl-4,5-dimethyl oxazoleFL
 furfuryl hexanoateFL
 geranyl 2-methyl butyrateFL/FR
 guaiyl acetateFL/FR
 heptanal cyclic propylene acetalFL/FR
 heptyl 2-methyl butyrateFL
 hexanal butane-2,3-diol acetalFL
 hexanal octane-1,3-diol acetalFL
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(E)-4-hexenalFL
(Z)-3-hexenal diethyl acetalFL/FR
(Z)-3-hexenal dimethyl acetal 
(E)-2-hexenal dimethyl acetalFL
 hexyl (E)-2-hexenoateFL
 methyl 2-hexenoateFL/FR
2-methyl thiazoleFL
4-(methyl thio) butanolFL
 nonyl isovalerateFL/FR
2-octenalFL/FR
isopropyl isovalerateFL/FR
 propyl isovalerateFL/FR
2-isopropyl-3-(methyl thio) pyrazineFL
alliaceous
3-tetrahydrothiophenoneFL
 tropical thiazoleFL/FR
fatty
 allyl octanoateFL/FR
2,4-decadienalFL
(E,E)-2,4-heptadienalFL
2-heptyl furanFL/FR
2,4-nonadien-1-olFL/FR
2,4-nonadienalFL
2-octen-1-olFL/FR
(E)-2-octenalFL/FR
floral
 methyl citronellateFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 butyl heptanoateFL/FR
isobutyl hexanoateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cyclohexyl isovalerateFL/FR
alpha-damasconeFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 methyl 2-methyl butyrateFL/FR
2-methyl butyl isovalerateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 propyl hexanoateFL/FR
fusel
 methyl butyrateFL/FR
green
isobutyl isovalerateFL/FR
3-decen-2-oneFL/FR
 dihydroxyacetophenone (mixed isomers)FL
 dodecanal dimethyl acetalFL/FR
 geranyl isovalerateFL/FR
(Z)-4-heptenalFL/FR
 hexanal (aldehyde C-6)FL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
3-(5-methyl-2-furyl) butanalFL
(E,Z)-3,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
(E)-2-nonenalFL/FR
2,4-octadienalFL
(E,E)-2,4-octadienalFL
(E)-2-octen-1-yl acetateFL/FR
1-penten-3-olFL/FR
(E)-2-pentenalFL/FR
2-propyl pyrazineFL
isopropyl tiglateFL/FR
 propylene glycol acetone ketalFL
ketonic
3-heptanoneFL/FR
metallic
4-hexenolFL/FR
3-(methyl thio) hexanolFL/FR
onion
 propyl thioacetateFL
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
sulfurous
 grapefruit menthaneFL/FR
 methyl benzyl disulfideFL
waxy
 ethyl decanoateFL/FR
(Z)-6-nonen-1-olFL/FR
 propyl heptanoateFL/FR
 undecanalFL/FR
 
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Potential Uses:
 appleFR
 bananaFR
 cucumberFR
 fruitFR
 galbanumFR
 geraniumFR
 grape white grapeFL
 greenFR
 herbalFR
 lemonFR
 melonFR
 nutFL
 orangeFR
 peachFR
 pearFR
 soupFL
 vegetableFL
 weedy 
 woodyFR
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Occurrence (nature, food, other): note
 plum fruit
Search Trop  Picture
 potato chip
Search  PMC Picture
 soybean oil
Search Trop  Picture
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Synonyms:
 butyl acrolein
3-butyl acrolein
 hept-2-enal
2-hepten-1-al
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