EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

heptyl paraben
benzoic acid, 4-hydroxy-, N-heptyl ester

Supplier Sponsors

Name:heptyl 4-hydroxybenzoate
CAS Number: 1085-12-7Picture of molecule3D/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
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Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents: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:
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
NLM Developmental and Reproductive Toxicity: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 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
RSC Learn Chemistry: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
 

Articles:

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.
 
Notes:
Used as a food additive [EAFUS]
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