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

4-(tert-octyl) phenol
phenol, 4-(1,1,3,3-tetramethylbutyl)-

Supplier Sponsors

Name:4-(2,4,4-trimethylpentan-2-yl)phenol
CAS Number: 140-66-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:205-426-2
FDA UNII: IOY9FVU3J3
Nikkaji Web:J1.190H
Beilstein Number:0513992
MDL:MFCD00002368
XlogP3:5.00 (est)
Molecular Weight:206.32854000
Formula:C14 H22 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:adjuvants for pesticide use dilutions
 
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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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FDA Mainterm (SATF):140-66-9 ; ALPHA-{P-(1,1,3,3-TETRAMETHYLBUTYL)PHENYL}-OMEGA-HYDROXYPOLY(OXYETHYLENE)
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
H--Other Specific Usage Additives
Sec. 172.710 Adjuvants for pesticide use dilutions.
 
Physical Properties:
Food Chemicals Codex Listed: No
Melting Point: 84.00 to 85.00 °C. @ 760.00 mm Hg
Boiling Point: 282.30 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 299.00 °F. TCC ( 148.30 °C. ) (est)
logP (o/w): 5.180 (est)
Soluble in:
 water, 4.821 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-tert-Octylphenol
Santa Cruz Biotechnology
For experimental / research use only.
4-tert-Octylphenol
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-tert-Octylphenol 97%
sds
TCI AMERICA
For experimental / research use only.
4-(1,1,3,3-Tetramethylbutyl)phenol >93.0%(GC)
sds
 
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:
oral-rat LD50 4600 mg/kg
LIVER: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Kauchuk i Rezina. Crude and Vulcanized Rubber. Vol. 26(9), Pg. 28, 1967.

oral-mouse LD50 3210 mg/kg
BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LIVER: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Kauchuk i Rezina. Crude and Vulcanized Rubber. Vol. 26(9), Pg. 28, 1967.

Dermal Toxicity:
skin-rabbit LD50 1880 mg/kg
National Technical Information Service. Vol. OTS0527972

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
adjuvants for pesticide use dilutions
Recommendation for 4-(tert-octyl) phenol usage levels up to:
 not for fragrance use.
 
Recommendation for 4-(tert-octyl) phenol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):140-66-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8814
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4-(2,4,4-trimethylpentan-2-yl)phenol
Chemidplus:0000140669
RTECS:SM9625000 for cas# 140-66-9
 
References:
 4-(2,4,4-trimethylpentan-2-yl)phenol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:140-66-9
Pubchem (cid):8814
Pubchem (sid):134974927
 
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):C14205
HMDB (The Human Metabolome Database):HMDB32528
FooDB:FDB010381
Export Tariff Code:2907.13.0000
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:
4-t-octylphenol
4-tert-octylphenol
p-tert-octylphenol
 phenol, 4-(1,1,3,3-tetramethylbutyl)-
 phenol, p-(1,1,3,3-tetramethylbutyl)-
 phenol, p-(tert-octyl)-
4-(1,1,3,3-tetramethyl butyl) phenol
4-(1,1,3,3-tetramethyl-butyl)-phenol
4-(1,1,3,3-tetramethyl-butyl)phenol
4-(1,1,3,3-tetramethylbutyl)phenol
p-(1,1,3,3-tetramethylbutyl)phenol
4-(2,4,4-trimethyl-2-pentanyl)phenol
4-(2,4,4-trimethylpentan-2-yl)phenol
 

Articles:

PubMed:A novel fatty-acid-based in-tube dispersive liquid-liquid microextraction technique for the rapid determination of nonylphenol and 4-tert-octylphenol in aqueous samples using high-performance liquid chromatography-ultraviolet detection.
PubMed:Ameliorating effect of chicory (Chichorium intybus L.) fruit extract against 4-tert-octylphenol induced liver injury and oxidative stress in male rats.
PubMed:Complete feminization of catfish by feeding Limnodilus, an annelid worm collected in contaminated streams.
PubMed:Bisphenol A, 4-tert-octylphenol, and 4-nonylphenol in the Gulf of Gdańsk (Southern Baltic).
PubMed:Real-time growth kinetics measuring hormone mimicry for ToxCast chemicals in T-47D human ductal carcinoma cells.
PubMed:Binding of the endocrine disruptors 4-tert-octylphenol and 4-nonylphenol to human serum albumin.
PubMed:Determination of alkylphenols and phthalate esters in vegetables and migration studies from their packages by means of stir bar sorptive extraction coupled to gas chromatography-mass spectrometry.
PubMed:Alkylphenols in human milk and their relations to dietary habits in central Taiwan.
PubMed:Oral p-tert-octylphenol exposures induce minimal toxic or estrogenic effects in adult female Sprague-Dawley rats.
PubMed:Analysis of phenolic xenoestrogens by pressurized CEC with amperometric detection.
PubMed:Determination and residual characteristic of alkylphenols in household food detergents of Taiwan.
PubMed:Plastic components affect the activation of the aryl hydrocarbon and the androgen receptor.
PubMed:Determination of alkylphenol residues in baby-food purees by steam distillation extraction and gas chromatography-mass spectrometry.
PubMed:Occurrence of alkylphenolic substances in a Great Lakes coastal marsh, Cootes Paradise, ON, Canada.
PubMed:The toxic effects of 4-tert-octylphenol on the reproductive system of male rats.
PubMed:[Estimation of daily intake of phenols in hospital meal samples].
PubMed:Effects of 4-tert-octylphenol given in drinking water for 4 months on the male reproductive system of Fischer 344 rats.
PubMed:Male reproductive effects of octylphenol and estradiol in Fischer and Wistar rats.
PubMed:Determination of 4-octylphenol and 4-nonylphenol congeners in composite foods.
PubMed:Effects of estrogenic and antiandrogenic compounds on the testis structure of the adult guppy (Poecilia reticulata).
PubMed:Alkylphenol and bisphenol A levels in rubber products.
PubMed:Evaluation of 4-nonylphenols and 4-tert-octylphenol contamination of fish in rivers by laboratory accumulation and excretion experiments.
PubMed:Effects of 4-tert-octylphenol on initiation and maintenance of pregnancy following oral administration during early pregnancy in rats.
PubMed:Endocrine disrupting compounds: effect of octylphenol on reproduction over three generations.
PubMed:Identification and quantification of estrogenic compounds in recycled and virgin paper for household use as determined by an in vitro yeast estrogen screen and chemical analysis.
PubMed:Chronic administration of the environmental pollutant 4-tert-octylphenol to adult male rats interferes with the secretion of luteinizing hormone, follicle-stimulating hormone, prolactin, and testosterone.
 
Notes:
Used as a food additive [EAFUS]
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