| 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 3169;BETA-PROPYLACRYLIC ACID;(2E)-2-Hexenoic acid;(2E)-Hexenoic acid |
| CAS: | 13419-69-7 |
| MF: | C6H10O2 |
| MW: | 114.14 |
| EINECS: | 236-528-5 |
| Product Categories: | C6;Carbonyl Compounds;Carboxylic Acids;Alphabetical Listings;Flavors and Fragrances;G-H |
| Mol File: | 13419-69-7.mol |
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| 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) |
| FEMA | 3169 | TRANS-2-HEXENOIC ACID |
| refractive index | n20/D 1.438(lit.) |
| Fp | >230 °F |
| storage temp. | 2-8°C |
| Water Solubility | Insoluble in water |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | powder to lump to clear liquid |
| pka | pK1:4.74 (25°C) |
| color | White or Colorless to Light yellow |
| Specific Gravity | 0.965 |
| Odor | at 1.00 % in propylene glycol. powerful fruity sweet warm herbal |
| Odor Type | fruity |
| JECFA Number | 1361 |
| BRN | 1720443 |
| InChIKey | NIONDZDPPYHYKY-SNAWJCMRSA-N |
| LogP | 1.87 |
| 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 |
| 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 | white crystalline low melting solid |
| Chemical Properties | trans-2-Hexenoic acid has a pleasant, fatty, characteristic, long-lasting odor. |
| Occurrence | Reported 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. |
| Preparation | By condensation of butyraldehyde with malonic acid |
| Definition | ChEBI: The (E)-stereoisomer of hexenoic acid. |
| trans-2-Hexenoic acid Preparation Products And Raw materials |
| Raw materials | Butyraldehyde |
| Preparation Products | METHYL TRANS-2-HEXENOATE, 98–>trans-3-Hexenoic acid |