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Substance Name: trans-2-Hexenal
RN: 6728-26-3
UNII: 69JX3AIR1I
InChIKey: MBDOYVRWFFCFHM-SNAWJCMRSA-N
Note
- Product of lipid peroxidation in the rat liver; a green odor chemical; do not confuse with the hexabarbital synonym, hexenal.
Molecular Formula
- C6-H10-O
Molecular Weight
- 98.144
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- Toxicity
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Classification Codes
- Mutation Data
- Skin / Eye Irritant
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Names and Synonyms
Results Name
- trans-2-Hexenal
Name of Substance
- 2-Hexenal, (2E)-
Synonyms
- 2-trans-Hexenal
- 4-01-00-03468 (Beilstein Handbook Reference)
- AI3-35157
- beta-Propyl acrolein
- BRN 1699684
- CCRIS 4565
- EINECS 229-778-1
- FEMA No. 2560
- trans-2-Hexenal (leaf aldehyde)
- trans-2-Hexenal (leaf aldehyde) (natural)
- UNII-69JX3AIR1I
Systematic Names
- 2-Hexenal, (2E)-
- 2-Hexenal, (E)-
- trans-Hex-2-enal
Registry Numbers
CAS Registry Number
- 6728-26-3
FDA UNII
- 69JX3AIR1I
System Generated Number
- 0006728263
Structure Descriptors
InChI
1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+InChIKey
MBDOYVRWFFCFHM-SNAWJCMRSA-NSmiles
C(\CCC)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Food and Cosmetics Toxicology. Vol. 9, Pg. 775, 1971. |
| mouse | LD50 | oral | 685mg/kg (685mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Yukagaku. Oil Chemistry. Vol. 26, Pg. 169, 1977. |
| rabbit | LD50 | skin | 600mg/kg (600mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 453, 1975. | |
| rat | LD50 | intraperitoneal | 180mg/kg (180mg/kg) | VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Food and Cosmetics Toxicology. Vol. 9, Pg. 775, 1971. |
| rat | LD50 | oral | 780mg/kg (780mg/kg) | VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Food and Cosmetics Toxicology. Vol. 9, Pg. 775, 1971. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Boiling Point | 146.5 | deg C | EXP | |
| log P (octanol-water) | 1.580 | (none) | EST | |
| Water Solubility | 5260 | mg/L | 25 | EST |
| Vapor Pressure | 6.600 | mm Hg | 25 | EST |
| Henry's Law Constant | 9.88E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 4.40E-11 | cm3/molecule-sec | 23 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.