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thymyl isobutyrate
thymol isobutyrate

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Name:(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate
CAS Number: 5451-67-2Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J675.403A
XlogP:4.00 (est)
Molecular Weight:220.31180000
Formula:C14 H20 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 277.00 to 278.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.005000 mmHg @ 25.00 °C. (est)
Flash Point: 216.00 °F. TCC ( 102.30 °C. ) (est)
logP (o/w): 3.894 (est)
Soluble in:
 water, 4.905 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
Thymol isobutyrate 98%
Safety Information:
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:
natural substances and extractives
Recommendation for thymyl isobutyrate usage levels up to:
 not for fragrance use.
Recommendation for thymyl isobutyrate flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :228738
National Institute of Allergy and Infectious Diseases:Data
(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate
 (5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):228738
Pubchem (sid):84138
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
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 bubonium imbricatum
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(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate
 thymol isobutyrate
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