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methyl 4-tert-butyl benzoate
benzoic acid, 4-(1,1-dimethylethyl)-, methyl ester

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CAS Number: 26537-19-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:247-768-5
Nikkaji Web:J47.347B
XlogP3:4.00 (est)
Molecular Weight:192.25792000
Formula:C12 H16 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavor and fragrance agents
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
Physical Properties:
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.00800 to 1.01200 @ 20.00 °C.
Pounds per Gallon - (est).: 8.397 to 8.431
Refractive Index:1.50800 to 1.51200 @ 20.00 °C.
Boiling Point: 122.00 to 124.00 °C. @ 9.00 mm Hg
Vapor Pressure:0.014000 mmHg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 113.00 °C. )
logP (o/w): 3.972 (est)
Soluble in:
 water, 30.78 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: flavoring agents
perfuming agents
BOC Sciences
For experimental / research use only.
Methyl 4-tert-butylbenzoate 95%
Santa Cruz Biotechnology
For experimental / research use only.
Methyl 4-tert-butylbenzoate ≥98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Methyl 4-tert-butylbenzoate 99%
For experimental / research use only.
Methyl 4-tert-butylbenzoate >98.0%(GC)
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):26537-19-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :97433
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl 4-tert-butylbenzoate
 methyl 4-tert-butylbenzoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):97433
Pubchem (sid):135053754
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2916.39.7900
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
 benzoic acid, 4-(1,1-dimethylethyl)-, methyl ester
 benzoic acid, 4-t-butyl-, methyl ester
 benzoic acid, p-tert-butyl-, methyl ester
4-tert-butyl benzoic acid methyl ester
4-tert-butylbenzoic acid methyl ester
 methyl 4-(tert-butyl)benzoate
 methyl 4-tert-butylbenzoate
 methyl 4-tertbutylbenzoate
 methyl p-tert-butylbenzoate
None found
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