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2-octyl octanoate
hexanoic acid, 2-ethyl-, 2-ethylhexyl ester

Supplier Sponsors

Name:2-ethylhexyl 2-ethylhexanoate
CAS Number: 7425-14-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:231-057-1
FDA UNII:430RJA6715
Nikkaji Web:J49.414C
Beilstein Number:1777190
XlogP3-AA:6.10 (est)
Molecular Weight:256.42944000
Formula:C16 H32 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:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85900 @ 25.00 °C.
Refractive Index:1.43500 @ 20.00 °C.
Melting Point: -18.00 °C. @ 760.00 mm Hg
Boiling Point: 288.00 to 289.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 279.00 °F. TCC ( 137.10 °C. ) (est)
logP (o/w): 6.587 (est)
Soluble in:
 alcohol
 water, 0.0493 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Strength:medium
Odor Description:at 100.00 %. fruity
Taste Description: plum
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: emollients
 
Suppliers:
Alzo International
Dermol 88
BOC Sciences
For experimental / research use only.
Hexanoic acid,2-ethyl-, 2-ethylhexyl ester
Charkit Chemical
OCTYL OCTANOATE
Mosselman
2-Ethylhexyl 2-ethylhexanoate
 
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
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 27000 mg/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Dermal Toxicity:
skin-rabbit LD50 > 20 ml/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: emollients
Recommendation for 2-octyl octanoate usage levels up to:
 not for fragrance use.
 
Recommendation for 2-octyl octanoate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):7425-14-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :23906
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2-ethylhexyl 2-ethylhexanoate
Chemidplus:0007425141
 
References:
Leffingwell:Chirality or Article
 2-ethylhexyl 2-ethylhexanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7425-14-1
Pubchem (cid):23906
Pubchem (sid):134988161
 
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:
FRcherry
 emollients
FLplum greengage plum
FRplum mirabelle plum
FLtea green tea
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-ethyl hexyl 2-ethyl hexanoate
2-ethylhexanoic acid, 2-ethylhexyl ester
2-ethylhexyl 2-ethylhexanoate
 hexanoic acid, 2-ethyl-, 2-ethylhexyl ester
2-octyl caprylate
2-octyl octylate
 

Articles:

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Notes:
None found
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