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

isononyl isononanoate
hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl ester

Sponsors

Name:3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate
CAS Number: 59219-71-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:261-665-2
Nikkaji Web:J308.648H
Beilstein Number:1785018
MDL:MFCD03791105
XlogP3-AA:6.50 (est)
Molecular Weight:284.48332000
Formula:C18 H36 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:emollients
 
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: 70.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 285.00 to 288.00 °C. @ 760.00 mm Hg (est)
Acid Value: 1.00 max. KOH/g
Saponification Value:185.00 to 200.00
Vapor Pressure:0.003000 mm/Hg @ 25.00 °C. (est)
Flash Point: 277.00 °F. TCC ( 136.30 °C. ) (est)
logP (o/w): 7.098 (est)
Soluble in:
 water, 0.007668 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: antistatic agents
emollients
skin conditioning
 
Suppliers:
Alzo International
Dermol 99
Alzo International
Wickenol 151
American International Chemical, LLC.
Isononyl Isononanoate
BOC Sciences
For experimental / research use only.
3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoate 95%
Charkit Chemical
CREAGEL EZ3
ECSA Chemicals
isoNonyl Isononanoate
Company Profile
Sigma-Aldrich: Aldrich
For experimental / research use only.
3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoate technical, ≥70% (GC)
Vigon International
ININ 100KC
Zschimmer & Schwarz
Lubricit iC9-9-W
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: emollients
Recommendation for isononyl isononanoate usage levels up to:
 not for fragrance use.
 
Recommendation for isononyl isononanoate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):59219-71-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :100986
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate
Chemidplus:0059219715
 
References:
 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):100986
Pubchem (sid):135351302
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 antistatic agents
 emollients
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl ester
3,5,5-trimethyl hexyl 3,5,5-trimethyl hexanoate
3,5,5-trimethyl-1-hexyl 3,5,5-trimethylhexanoate
3,5,5-trimethylhexyl 3,5,5-trimethylcaproat
3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate
 

Articles:

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Notes:
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