Articles:
benzoic acid, 4-hydroxy-, N-heptyl ester
Notes:
Used as a food additive [EAFUS]
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| CAS Number: | 1085-12-7 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 214-115-0 | |
| FDA UNII: | K2CIJ448IX | |
| Nikkaji Web: | J87.217B | |
| Beilstein Number: | 2726540 | |
| MDL: | MFCD00016481 | |
| XlogP3: | 4.80 (est) | |
| Molecular Weight: | 236.31100000 | |
| Formula: | C14 H20 O3 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: inhibit microbiological spoilage
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| FDA Mainterm (SATF): | 1085-12-7 ; HEPTYLPARABEN |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart B--Food Preservatives Sec. 172.145 Heptylparaben. | |
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 | |
| water, 20 mg/L @ 30 °C (exp) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Heptyl 4-Hydroxybenzoate 97% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| n-Heptyl 4-hydroxybenzoate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Heptyl 4-hydroxybenzoate |
| TCI AMERICA |
| For experimental / research use only. |
| Heptyl 4-Hydroxybenzoate >98.0%(HPLC)(T) |
Safety Information:
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
|
subcutaneous-mouse LD50 4000 mg/kg BEHAVIORAL: ANALGESIA PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 135, 1960. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| 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. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 1085-12-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 14138 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| heptyl 4-hydroxybenzoate | |
| Chemidplus: | 0001085127 |
| RTECS: | DH2202000 for cas# 1085-12-7 |
References:
| heptyl 4-hydroxybenzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 14138 |
| Pubchem (sid): | 134980793 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C14718 |
| HMDB (The Human Metabolome Database): | HMDB34462 |
| FooDB: | FDB012871 |
| Export Tariff Code: | 2918.29.7500 |
| FDA Listing of Food Additive Status: | View |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
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 |