trans-2-Hexenoic acid

trans-2-Hexenoic acid Basic information
Product Name:trans-2-Hexenoic acid
Synonyms:T2 HEXENOIC ACID;TIMTEC-BB SBB009088;ISOHYDROSORBIC ACID;HEX-2(TRANS)-ENOIC ACID;FEMA NUMBER 3169;FEMA 3169;BETA-PROPYLACRYLIC ACID;2-HEXENOIC ACID
CAS:13419-69-7
MF:C6H10O2
MW:114.14
EINECS:236-528-5
Product Categories:C6;Carbonyl Compounds;Alphabetical Listings;Flavors and Fragrances;G-H;Carboxylic Acids
Mol File:13419-69-7.mol
trans-2-Hexenoic acid Structure
trans-2-Hexenoic acid Chemical Properties
Melting point 33-35 °C (lit.)
Boiling point 217 °C (lit.)
density 0.965 g/mL at 25 °C (lit.)
vapor density >1 (vs air)
refractive index n20/D 1.438(lit.)
FEMA 3169 | TRANS-2-HEXENOIC ACID
Fp >230 °F
storage temp. 2-8°C
solubility Chloroform (Slightly), Methanol (Slightly)
Water Solubility Insoluble in water
form powder to lump to clear liquid
pkapK1:4.74 (25°C)
color White or Colorless to Light yellow
Specific Gravity0.965
Odorat 1.00 % in propylene glycol. powerful fruity sweet warm herbal
Odor Typefruity
JECFA Number1361
BRN 1720443
InChIKeyNIONDZDPPYHYKY-SNAWJCMRSA-N
LogP1.87
CAS DataBase Reference13419-69-7(CAS DataBase Reference)
NIST Chemistry Reference2-Hexenoic acid, (E)-(13419-69-7)
EPA Substance Registry System2-Hexenoic acid, (2E)- (13419-69-7)
Safety Information
Hazard Codes C
Risk Statements 34
Safety Statements 26-36/37/39-45-25
RIDADR UN 2829 8/PG 3
WGK Germany 3
TSCA T
HazardClass 8
PackingGroup III
HS Code 29161900
MSDS Information
ProviderLanguage
trans-2-Hexenoic acid English
SigmaAldrich English
ACROS English
ALFA English
trans-2-Hexenoic acid Usage And Synthesis
Descriptiontrans-2-Hexenoic acid has a pleasant fatty characteristic and is long-lasting. This substance may be synthesized by condensation of butyraldehyde with malonic acid.
Chemical Propertiestrans-2-Hexenoic acid has a pleasant, fatty, characteristic, long-lasting odor.
Chemical Propertieswhite crystalline low melting solid
OccurrenceReported found in Japanese peppermint oil, apple, banana, bilberry, guava, pork fat, white wine, tea, starfruit, loquat and loganberry.
Uses(2E)-2-Hexenoic Acid is used in the synthesis of antitumor dehydroepiandrosteronederivatives. Also used in the synthesis of phosphatase 1B inhibitors.
DefinitionChEBI: The (E)-stereoisomer of hexenoic acid.
PreparationBy condensation of butyraldehyde with malonic acid
trans-2-Hexenoic acid Preparation Products And Raw materials
Raw materialsButyraldehyde
Preparation ProductsMETHYL TRANS-2-HEXENOATE, 98-->trans-3-Hexenoic acid
4-METHOXYCINNAMIC ACID Trans-(4-AMinoMethylcyclohexyl)acetic acid TRANS-ACONITIC ACID TRANS-3-HEXENOIC ACID,TRANS-3-HEXENOIC ACID 98+% Span 60 6-CHLORO-TRANS-2-HEXENOIC ACID ETHYL ESTER trans-2-Hexenoic acid VIGABATRIN TRANS-FATTY-ACID Docosahexaenoic Acid Polyenoic acid ethyl ester (E)-2-HEXENOIC ACID = TRANS-2-HEXENOIC ACID trans,trans-2,4-Undecadienal METHYL TRANS-2-HEXENOATE, 98 Arachidonic acid trans-2-Hexenoic acid ethyl ester Undecenoic acid EPA

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