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2-methyl butyl 2-ethyl hexanoate
hexanoic acid, 2-ethyl-, 2-methylbutyl ester

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Name:2-methylbutyl 2-ethylhexanoate
CAS Number: 106887-88-1Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J599.789E
XlogP3-AA:4.60 (est)
Molecular Weight:214.34862000
Formula:C13 H26 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Google Patents:Search
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Pubchem Patents:Search
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 239.46 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.040000 mmHg @ 25.00 °C. (est)
Flash Point: 219.00 °F. TCC ( 104.00 °C. ) (est)
logP (o/w): 5.123 (est)
Soluble in:
 water, 1.512 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor Description:fatty
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
2-methylbutyl 2-ethyl hexanoate
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:
information only not used for fragrances or flavors
Recommendation for 2-methyl butyl 2-ethyl hexanoate usage levels up to:
 not for fragrance use.
Recommendation for 2-methyl butyl 2-ethyl hexanoate 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 :550851
National Institute of Allergy and Infectious Diseases:Data
2-methylbutyl 2-ethylhexanoate
 2-methylbutyl 2-ethylhexanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):550851
Pubchem (sid):125685058
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
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
isoamyl 2-ethyl hexanoate
 hexanoic acid, 2-ethyl-, 2-methylbutyl ester
2-methylbutyl 2-ethyl hexanoate
2-methylbutyl 2-ethylhexanoate
isopentyl 2-ethyl hexanoate
None found
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