4-hexyl benzoic acid
benzoic acid, 4-hexyl-
Identification
| Name | 4-hexyl benzoic acid |
| IUPAC | 4-hexylbenzoic acid |
| CAS Number | 21643-38-9 |
| EINECS | 244-490-6 |
| FDA UNII | VF567YY01P |
| Molecular Formula | C13 H18 O2 |
| Molecular Weight | 206.28486000 |
| MDL Number | MFCD00013997 |
| Nikkaji Number | J42.049B |
| Beilstein | 2046454 |
| XlogP3 | 5.10 (est) |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 330.30 °C. @ 760.00 mm Hg (est) |
| Flash Point | 316.00 °F. TCC ( 157.50 °C. ) (est) |
| logP (o/w) | 5.010 (est) |
| Soluble in | water, 2.777 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | intravenous-mouse LD50 56 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', 'U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09965']
Safety in Use
| Category | information only not used for fragrances or flavors |
| Recommendation for 4-hexyl benzoic acid usage levels up to | not for fragrance use. |
| Recommendation for 4-hexyl benzoic acid flavor usage levels up to | not for flavor use. |
Potential Uses
Natural Occurrence
Synonyms
benzoic acid, 4-hexyl-
p-
hexyl benzoic acid
para-
hexyl benzoic acid
4-
hexylbenzoic acid
p-
hexylbenzoic acid
PubMed:
A broad-range yeast expression system reveals Arxula adeninivorans expressing a fungal self-sufficient cytochrome P450 monooxygenase as an excellent whole-cell biocatalyst.
PubMed:
Identification and characterization of 4-hexylbenzoic acid and 4-nonyloxybenzoic acid as substrates of CYP102A1.