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Substance Name: 2,4-Hexadienal
RN: 142-83-6
UNII: 878K4I6N7T
InChIKey: BATOPAZDIZEVQF-MQQKCMAXSA-N
Classification Codes
- Mutation Data
- Tumor Data
Molecular Formula
- C6-H8-O
Molecular Weight
- 96.1282
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 2,4-Hexadienal
Synonyms
- 1,3-Pentadiene-1-carboxaldehyde
- 2,4-Hexadienal
- 2,4-Hexadienal, (E,E)-
- 2-Propyleneacrolein
- 3-Propyleneacrolein
- 4-01-00-03545 (Beilstein Handbook Reference)
- AI3-31142
- BRN 1698401
- CCRIS 4030
- EINECS 205-564-3
- FEMA No. 3429
- HSDB 7239
- Sorbaldehyde
- Sorbic aldehyde
- trans,trans-2,4-Hexadienal
- UNII-878K4I6N7T
Systematic Names
- 2,4-Hexadienal, (2E,4E)-
- 2,4-Hexadienal, (E,E)-
- Hexa-2,4-dienal
- Sorbaldehyde
Superlist Names
- 2,4-Hexadienal, (E,E)-
- 2,4-Hexadienal, trans,trans-
- Sorbaldehyde
Registry Numbers
CAS Registry Number
- 142-83-6
FDA UNII
- 878K4I6N7T
Other Registry Number
- 4488-48-6
System Generated Number
- 0000142836
Structure Descriptors
InChI
InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+InChIKey
BATOPAZDIZEVQF-MQQKCMAXSA-NSmiles
C\C=C\C=C\C=OToxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LDLo | skin | 2500mg/kg (2500mg/kg) | Food and Chemical Toxicology. Vol. 26, Pg. 337, 1988. | |
| rabbit | LD50 | skin | 270uL/kg (0.27mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LCLo | inhalation | 2000ppm/4H (2000ppm) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LD50 | oral | 300mg/kg (300mg/kg) | Food and Chemical Toxicology. Vol. 26, Pg. 337, 1988. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Boiling Point | 174 | deg C | EXP | |
| log P (octanol-water) | 1.370 | (none) | EST | |
| Water Solubility | 8140 | mg/L | 25 | EST |
| Vapor Pressure | 4.810 | mm Hg | 25 | EST |
| Henry's Law Constant | 9.78E-06 | atm-m3/mole | 25 | EXP |
| Atmospheric OH Rate Constant | 6.53E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.