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Substance Name: Octyl butyrate
RN: 110-39-4
UNII: 5YEU4O369L
InChIKey: PWLNAUNEAKQYLH-UHFFFAOYSA-N
Molecular Formula
- C12-H24-O2
Molecular Weight
- 200.3196
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Names and Synonyms
Name of Substance
- Octyl butyrate
Synonyms
- AI3-24204
- Butanoic acid, octyl ester
- Butyric acid, octyl ester
- EINECS 203-762-4
- FEMA No. 2807
- n-Octyl butyrate
- n-Octyl n-butyrate
- NSC 72032
- Octyl butanoate
- Octyl butyrate
- Octyl butyrate (natural)
- UNII-5YEU4O369L
Systematic Names
- Butanoic acid, octyl ester
- Butyric acid, octyl ester (8CI)
- Octyl butyrate
Superlist Name
- Octyl butyrate
Registry Numbers
CAS Registry Number
- 110-39-4
FDA UNII
- 5YEU4O369L
System Generated Number
- 0000110394
Structure Descriptors
InChI
InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3InChIKey
PWLNAUNEAKQYLH-UHFFFAOYSA-NSmiles
CCCCCCCCOC(=O)Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -5.56E+01 | deg C | EXP | |
| Boiling Point | 244.1 | deg C | EXP | |
| log P (octanol-water) | 4.790 | (none) | EST | |
| Atmospheric OH Rate Constant | 1.19E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.