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

isohexyl neopentanoate
pivalic acid, 4-methylpentyl ester

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Name:4-methylpentyl 2,2-dimethylpropanoate
CAS Number: 131141-70-3Picture of molecule3D/inchi
FDA UNII: Search
XlogP3-AA:3.60 (est)
Molecular Weight:186.29474000
Formula:C11 H22 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:emollients, skin conditioning
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 Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 193.00 to 194.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.470000 mmHg @ 25.00 °C. (est)
Flash Point: 161.00 °F. TCC ( 71.70 °C. ) (est)
logP (o/w): 3.878 (est)
Soluble in:
 water, 15.62 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: skin conditioning
skin conditioning - emollient
BOC Sciences
For experimental / research use only.
isoHexyl Neopentanoate
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:
emollients, skin conditioning
Recommendation for isohexyl neopentanoate usage levels up to:
 not for fragrance use.
Recommendation for isohexyl neopentanoate 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 :546056
National Institute of Allergy and Infectious Diseases:Data
4-methylpentyl 2,2-dimethylpropanoate
 4-methylpentyl 2,2-dimethylpropanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):546056
Pubchem (sid):125741819
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:
Occurrence (nature, food, other):note
 not found in nature
2,2-dimethyl propanoic acid 2-ethyl butyl ester
2,2-dimethylpropionic acid, 4-methylpentyl ester
4-methyl pentyl 2,2-dimethyl propanoate
4-methyl pentyl pivalate
4-methylpentyl 2,2-dimethylpropanoate
4-methylpentyl pivalate
 pivalic acid 4-methylpentyl ester
 pivalic acid, 4-methylpentyl ester
None found
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