|
|
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
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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.