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trans-2-Heptenal

trans-2-Heptenal Basic information
Product Name:trans-2-Heptenal
Synonyms:(2E)-2-Heptenal;Tran-2-heptonal;trans-2-Heptenal;trans-2-Heptenal 97%;2-trans-Heptenal;3-Butylacrolein;beta-Butylacrolein;hept-(E)-2-enal
CAS:18829-55-5
MF:C7H12O
MW:112.17
EINECS:242-608-0
Product Categories:aldehyde Flavor;Aldehydes;C7;Carbonyl Compounds;Alphabetical Listings;Flavors and Fragrances;G-H
Mol File:18829-55-5.mol
trans-2-Heptenal Structure
trans-2-Heptenal Chemical Properties
Melting point -53.35°C (estimate)
Boiling point 90-91 °C50 mm Hg(lit.)
density 0.857 g/mL at 25 °C(lit.)
vapor density >1 (vs air)
FEMA 3165 | TRANS-2-HEPTENAL
refractive index n20/D 1.450(lit.)
Fp 128 °F
storage temp. 2-8°C
form neat
color Colorless to Light yellow to Light orange
Odorat 1.00 % in dipropylene glycol. pungent green vegetable fresh fatty
Odor Typegreen
JECFA Number1360
BRN 1700822
LogP2.11
CAS DataBase Reference18829-55-5(CAS DataBase Reference)
NIST Chemistry Reference2-Heptenal, (E)-(18829-55-5)
EPA Substance Registry System2-Heptenal, (2E)- (18829-55-5)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 10-20/21-43
Safety Statements 16-36/37
RIDADR UN 1988 3/PG 3
WGK Germany 3
RTECS MJ8795000
F 10-23
Hazard Note Irritant
HazardClass 3.2
PackingGroup III
HS Code 29121900
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
trans-2-Heptenal Usage And Synthesis
Chemical Propertiesclear colorless to light yellow liquid
Usestrans-2-Heptenal is found in the scent-gland secretion of Oebalus pugnax (rice stink bug). trans-2-Heptenal is also an odour active compound found in guava.
DefinitionChEBI: (E)-hept-2-enal is a monounsaturated fatty aldehyde that is (2E)-hept-2-ene which is carrying an oxo group at position 1. Found in the peel of Malaysian pink and white pomelo peel and in the scent gland secretion of the rice stink bug Oebalus pugnax. It has a role as a plant metabolite and a uremic toxin. It is an enal, a monounsaturated fatty aldehyde and a medium-chain fatty aldehyde.
Synthesis Reference(s)Journal of the American Chemical Society, 108, p. 452, 1986 DOI: 10.1021/ja00263a015
Tetrahedron Letters, 21, p. 3987, 1980 DOI: 10.1016/S0040-4039(00)92851-X
General Descriptiontrans-2-Heptenal is a volatile flavor constituent identified in heated butter and tomato.
trans-2-Heptenal Preparation Products And Raw materials
Raw materials(1Z)-1-Iodo-1-hexene-->1-bromohex-1-ene-->(Z)-1,1-Diethoxy-2-heptene-->cis-1-bromo-1-hexene-->2-Heptenal-->2-Heptyn-1-ol-->1-Heptyne
WIELAND-MIESCHER KETONE 5-ANDROSTENEDIOL Adrenosterone TRANS-2,2-DIMETHYL-4-HEPTENAL (E)-6-Hydroxy-2,2,5-trimethyl-4-heptenal (E)-4-Heptenal,TRANS-4-HEPTENAL,TRANS-4-HEPTENAL trans-2-Heptenal 6-(4-Methyl-3-cyclohexen-1-yl)-4-heptenal CORTISONE METHANDIENONE trans,trans-2,4-Undecadienal 16-Dehydroprogesterone 2-Heptenal O-[(pentafluorophenyl)methyl]oxime TRANS-2-OCTENOIC ACID Irisone 19-HYDROXY-4-ANDROSTENE-3,17-DIONE Cortisone acetate Androsta-1,4-diene-3,17-dione
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