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Substance Name: Hexyl propionate
RN: 2445-76-3
UNII: 8R2W3UA8JV
InChIKey: GOKKOFHHJFGZHW-UHFFFAOYSA-N
Molecular Formula
- C9-H18-O2
Molecular Weight
- 158.2392
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Hexyl propionate
Synonyms
- 1-Hexyl propanoate
- 1-Hexyl propionate
- 4-02-00-00709 (Beilstein Handbook Reference)
- AI3-33593
- BRN 1752269
- EINECS 219-495-1
- FEMA No. 2576
- Hexyl propanoate
- Hexyl propionate
- Hexyl propionate (natural)
- Propanoic acid, hexyl ester
- Propionic acid, hexyl ester
- UNII-8R2W3UA8JV
Systematic Names
- Hexyl propionate
- Propanoic acid, hexyl ester
- Propionic acid, hexyl ester (6CI,7CI,8CI)
Superlist Name
- Hexyl propionate
Registry Numbers
CAS Registry Number
- 2445-76-3
FDA UNII
- 8R2W3UA8JV
System Generated Number
- 0002445763
Structure Descriptors
InChI
InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3InChIKey
GOKKOFHHJFGZHW-UHFFFAOYSA-NSmiles
CCCCCCOC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 26, Pg. 355, 1988. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 26, Pg. 355, 1988. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -5.75E+01 | deg C | EXP | |
| Boiling Point | 190 | deg C | EXP | |
| log P (octanol-water) | 3.320 | (none) | EST | |
| Atmospheric OH Rate Constant | 7.85E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.