trans-2-Hexenoic acid

CAS No.：13419-69-7

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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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 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
Water Solubility	Insoluble in water
pka	pK1:4.74 (25°C)
form	powder to lump to clear liquid
color	White or Colorless to Light yellow
Specific Gravity	0.965
JECFA Number	1361
BRN	1720443
InChIKey	NIONDZDPPYHYKY-SNAWJCMRSA-N
CAS DataBase Reference	13419-69-7(CAS DataBase Reference)
NIST Chemistry Reference	2-Hexenoic acid, (E)-(13419-69-7)
EPA Substance Registry System	2-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

Provider	Language
trans-2-Hexenoic acid	English
SigmaAldrich	English
ACROS	English
ALFA	English

trans-2-Hexenoic acid Usage And Synthesis

Description	trans-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 Properties	trans-2-Hexenoic acid has a pleasant, fatty, characteristic, long-lasting odor.
Chemical Properties	white crystalline low melting solid
Occurrence	Reported found in Japanese peppermint oil, apple, banana, bilberry, guava, pork fat, white wine, tea, starfruit, loquat and loganberry.
Definition	ChEBI: The (E)-stereoisomer of hexenoic acid.
Preparation	By condensation of butyraldehyde with malonic acid

trans-2-Hexenoic acid Preparation Products And Raw materials

Raw materials	Butyraldehyde
Preparation Products	METHYL TRANS-2-HEXENOATE, 98-->trans-3-Hexenoic acid

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