butyl nicotinate
nicotinic acid, butyl ester
Identification
| Name | butyl nicotinate |
| IUPAC | butyl pyridine-3-carboxylate |
| CAS Number | 6938-06-3 |
| EINECS | 230-064-7 |
| FDA UNII | LD3V8A23CV |
| Molecular Formula | C10 H13 N O2 |
| Molecular Weight | 179.21901000 |
| MDL Number | MFCD00006390 |
| Nikkaji Number | J54.258J |
| Beilstein | 0132654 |
| XlogP3 | 2.30 (est) |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 260.17 °C. @ 760.00 mm Hg (est) |
| Flash Point | 224.00 °F. TCC ( 106.50 °C. ) (est) |
| logP (o/w) | 2.270 |
| Soluble in | water, 2610 mg/L @ 25 °C (exp) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LDLo 63 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for butyl nicotinate usage levels up to | not for fragrance use. |
| Recommendation for butyl nicotinate flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
butyl 3-pyridinecarboxylate
N-
butyl nicotinate
butyl pyridine-3-carboxylate
nicotinic acid butyl ester
nicotinic acid N-butyl ester
nicotinic acid, butyl ester
pyridine-3-carboxylic acid butyl ester
3-
pyridinecarboxylic acid butyl ester
3-
pyridinecarboxylic acid, butyl ester
PubMed:
Estimation of serum protein binding of compounds metabolized in serum using matrix inhibition.
PubMed:
Inhibitory effect of 3-carboethoxypyridine and 3-carbobutoxypyridine on isolated rat uterus.
PubMed:
Effect of drug lipophilicity on in vitro release rate from oil vehicles using nicotinic acid esters as model prodrug derivatives.
PubMed:
Simultaneous transport and metabolism of nicotinic acid derivatives in hairless mouse skin.
PubMed:
Esterase-like activity of human serum albumin toward prodrug esters of nicotinic acid.
PubMed:
Skin penetration of nicotinic acid, methyl nicotinate, and butyl nicotinate in the guinea pig--comparison of in vivo and excised skin, and the effects of four dermatologic conditions.
PubMed:
[Studies on the permeability of human skin to nicotinic acid, methyl nicotinate and butyl nicotinate. -- with emphasis on the influence of liquid vehicles and that of water immersion (author's transl)].