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

2-heptenal
3-butyl acrolein

Supplier Sponsors

Name:hept-2-enal
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)
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
FLAVIS Number:05.070 (Old)
DG SANTE Food Flavourings:05.070 2-heptenal
FDA Mainterm: 2-HEPTENAL
 
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 mm/Hg @ 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
 
Organoleptic Properties:
Odor Type: green
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
green fatty
Odor Description:at 0.10 % in dipropylene glycol. green fatty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Hept-2-enal
Parchem
2-hepten-1-al
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: flavor and fragrance agents
Recommendation for 2-heptenal usage levels up to:
  0.0200 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 8.17 (μg/capita/day)
Structure Class: I
 
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):

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,-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
View page or View pdf

EPI System: View
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center: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
 
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
 
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
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB33827
FooDB:FDB011993
Export Tariff Code:2912.19.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
dodecanal (aldehyde C-12 lauric)
FL/FR
fresh carbaldehyde
FR
undecanal
FL/FR
balsamic
guaiyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
3-
decen-2-one
FL/FR
methyl 2-hexenoate
FL/FR
(E)-2-
nonenal
FL/FR
2-
octenal
FL/FR
(E)-2-
octenal
FL/FR
floral
alpha-
damascone
FL/FR
gamma-
damascone
FR
methyl citronellate
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
amyl 2-methyl butyrate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
iso
butyl hexanoate
FL/FR
butyl isovalerate
FL/FR
iso
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl isovalerate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl isovalerate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl formate
FL/FR
methyl 2-methyl butyrate
FL/FR
2-
methyl butyl isovalerate
FL/FR
methyl butyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
nonyl isovalerate
FL/FR
octen-1-yl cyclopentanone
FL/FR
propyl heptanoate
FL/FR
propyl hexanoate
FL/FR
propyl isovalerate
FL/FR
iso
propyl isovalerate
FL/FR
tropical thiazole
FL/FR
green
butyl heptanoate
FL/FR
dodecanal dimethyl acetal
FL/FR
heptanal cyclic propylene acetal
FL/FR
3-
heptanone
FL/FR
(Z)-4-
heptenal
FL/FR
2-
heptyl furan
FL/FR
hexanal (aldehyde C-6)
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal diethyl acetal
FL/FR
4-
hexenol
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
alpha-
hexyl cinnamaldehyde dimethyl acetal
FR
hexyl isobutyrate
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
2-
octen-1-ol
FL/FR
(E)-2-
octen-1-yl acetate
FL/FR
1-
penten-3-ol
FL/FR
(E)-2-
pentenal
FL/FR
melon
(Z)-6-
nonen-1-ol
FL/FR
minty
iso
propyl tiglate
FL/FR
sulfurous
grapefruit menthane
FL/FR
3-(
methyl thio) hexanol
FL/FR
waxy
ethyl decanoate
FL/FR
2,4-
nonadien-1-ol
FL/FR
woody
marine formate
FR
For Flavor
No flavor group found for these
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
epoxy-2-decenal
FL
2-
ethyl-4,5-dimethyl oxazole
FL
furfuryl hexanoate
FL
geranyl 2-methyl butyrate
FL/FR
guaiyl acetate
FL/FR
heptanal cyclic propylene acetal
FL/FR
heptyl 2-methyl butyrate
FL
hexanal butane-2,3-diol acetal
FL
hexanal octane-1,3-diol acetal
FL
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(E)-4-
hexenal
FL
(Z)-3-
hexenal diethyl acetal
FL/FR
(E)-2-
hexenal dimethyl acetal
FL
hexyl (E)-2-hexenoate
FL
methyl 2-hexenoate
FL/FR
2-
methyl thiazole
FL
4-(
methyl thio) butanol
FL
nonyl isovalerate
FL/FR
2-
octenal
FL/FR
propyl isovalerate
FL/FR
iso
propyl isovalerate
FL/FR
2-iso
propyl-3-(methyl thio) pyrazine
FL
alliaceous
alliaceous
3-
tetrahydrothiophenone
FL
tropical thiazole
FL/FR
fatty
allyl octanoate
FL/FR
2,4-
decadienal
FL
(E,E)-2,4-
heptadienal
FL
2-
heptyl furan
FL/FR
2,4-
nonadien-1-ol
FL/FR
2,4-
nonadienal
FL
2-
octen-1-ol
FL/FR
(E)-2-
octenal
FL/FR
floral
methyl citronellate
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
butyl heptanoate
FL/FR
iso
butyl hexanoate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cyclohexyl isovalerate
FL/FR
alpha-
damascone
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
methyl 2-methyl butyrate
FL/FR
2-
methyl butyl isovalerate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
octen-1-yl cyclopentanone
FL/FR
propyl hexanoate
FL/FR
fusel
methyl butyrate
FL/FR
green
iso
butyl isovalerate
FL/FR
3-
decen-2-one
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
dodecanal dimethyl acetal
FL/FR
geranyl isovalerate
FL/FR
(Z)-4-
heptenal
FL/FR
hexanal (aldehyde C-6)
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl formate
FL/FR
hexyl isobutyrate
FL/FR
3-(5-
methyl-2-furyl) butanal
FL
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(E)-2-
nonenal
FL/FR
(E,E)-2,4-
octadienal
FL
2,4-
octadienal
FL
(E)-2-
octen-1-yl acetate
FL/FR
1-
penten-3-ol
FL/FR
(E)-2-
pentenal
FL/FR
2-
propyl pyrazine
FL
iso
propyl tiglate
FL/FR
propylene glycol acetone ketal
FL
ketonic
3-
heptanone
FL/FR
metallic
4-
hexenol
FL/FR
3-(
methyl thio) hexanol
FL/FR
onion
propyl thioacetate
FL
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
sulfurous
grapefruit menthane
FL/FR
methyl benzyl disulfide
FL
waxy
ethyl decanoate
FL/FR
(Z)-6-
nonen-1-ol
FL/FR
propyl heptanoate
FL/FR
undecanal
FL/FR
 
Potential Uses:
FRapple
FRbanana
FRcucumber
FRfruit
FRgalbanum
FRgeranium
FLgrape white grape
FRgreen
FRherbal
FRlemon
 melon watermelon muskmelon cantaloupe
FLnut
FRorange
FRpeach
FRpear
 soup
FLvegetable
 weedy
FRwoody
 
Occurrence (nature, food, other):note
 plum fruit
Search Trop Picture
 potato chip
Search PMC Picture
 soybean oil
Search Trop Picture
 
Synonyms:
 butyl acrolein
3-butyl acrolein
 hept-2-enal
2-hepten-1-al
 
 
Notes:
Isol. from soya bean oil (Glycine max). Flavouring constit. of many foods
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