heptyl paraben
benzoic acid, 4-hydroxy-, N-heptyl ester
Identification
| Name | heptyl paraben |
| IUPAC | heptyl 4-hydroxybenzoate |
| CAS Number | 1085-12-7 |
| EINECS | 214-115-0 |
| FDA UNII | K2CIJ448IX |
| Molecular Formula | C14 H20 O3 |
| Molecular Weight | 236.31100000 |
| MDL Number | MFCD00016481 |
| Nikkaji Number | J87.217B |
| Beilstein | 2726540 |
| XlogP3 | 4.80 (est) |
Regulatory
| FDA Mainterm (SATF) | 1085-12-7 ; HEPTYLPARABEN |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Food Chemicals Codex Listed | No |
| Boiling Point | 353.63 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 0.000017 mmHg @ 25.00 °C. (est) |
| Flash Point | 289.00 °F. TCC ( 143.10 °C. ) (est) |
| logP (o/w) | 4.830 |
| Soluble in | alcohol |
| Insoluble in | water |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | subcutaneous-mouse LD50 4000 mg/kg |
| 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 | inhibit microbiological spoilage |
| Recommendation for heptyl paraben usage levels up to | not for fragrance use. |
| Recommendation for heptyl paraben flavor usage levels up to | not for flavor use. |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Potential Uses
Natural Occurrence
Synonyms
benzoic acid, 4-hydroxy-, heptyl ester
benzoic acid, 4-hydroxy-, N-heptyl ester
heptyl 4-hydroxybenzoate
N-
heptyl 4-hydroxybenzoate
heptyl p-hydroxybenzoate
N-
heptyl p-hydroxybenzoate
heptyl para-hydroxybenzoate
heptylparaben
4-
hydroxybenzoic acid heptyl ester
p-
hydroxybenzoic acid heptyl ester
para-
hydroxybenzoic acid heptyl ester
4-
hydroxybenzoic acid n-heptyl ester
PubMed:
Widespread occurrence of bisphenol A diglycidyl ethers, p-hydroxybenzoic acid esters (parabens), benzophenone type-UV filters, triclosan, and triclocarban in human urine from Athens, Greece.
PubMed:
Ovariectomized mouse uterotrophic assay of 36 chemicals.
PubMed:
Discovery of a marine bacterium producing 4-hydroxybenzoate and its alkyl esters, parabens.
PubMed:
The physical stability of thermally-stressed phospholipid-based emulsions containing methyl, propyl and heptyl parabens as model drugs.
PubMed:
Structures of KS-501 and KS-502, the new inhibitors of Ca2+ and calmodulin-dependent cyclic nucleotide phosphodiesterase.