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Substance Name: 3-Hexenal, (3Z)-
RN: 6789-80-6
UNII: 6V54TKA96C
InChIKey: GXANMBISFKBPEX-ARJAWSKDSA-N
Classification Code
- Natural Product
Molecular Formula
- C6-H10-O
Molecular Weight
- 98.144
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 3-Hexenal, (3Z)-
Synonyms
- 3-(Z)-Hexenal
- 4-01-00-03469 (Beilstein Handbook Reference)
- BRN 1720171
- cis-3-Hexenal
- cis-beta,gamma-Hexylenic aldehyde
- EINECS 229-854-4
- FEMA No. 2561
- UNII-6V54TKA96C
Systematic Names
- (Z)-Hex-3-enal
- 3-Hexenal, (3Z)-
- 3-Hexenal, (Z)-
Superlist Name
- 3-Hexenal, cis-
Registry Numbers
CAS Registry Number
- 6789-80-6
FDA UNII
- 6V54TKA96C
System Generated Number
- 0006789806
Structure Descriptors
InChI
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-InChIKey
GXANMBISFKBPEX-ARJAWSKDSA-NSmiles
CC\C=C/CC=OToxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 3700mg/kg (3700mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 709, 1982. | |
rat | LD50 | oral | 1560mg/kg (1560mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 709, 1982. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Boiling Point | 121 | deg C | EXP | |
log P (octanol-water) | 1.580 | (none) | EST | |
Atmospheric OH Rate Constant | 7.90E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.