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pentaerythritol octanoate
octanoic acid 2,2-bis(((1-oxooctyl)oxy)methyl)-1,3-propane diyl ester

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Name:[3-octanoyloxy-2,2-bis(octanoyloxymethyl)propyl] octanoate
CAS Number: 3008-50-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:221-123-8
FDA UNII: 8CW55ZFK6U
Nikkaji Web:J106.233F
XlogP3-AA:11.90 (est)
Molecular Weight:640.94256000
Formula:C37 H68 O8
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:
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Soluble in:
 water, 1.402e-009 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate 95%
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for pentaerythritol octanoate usage levels up to:
 not for fragrance use.
 
Recommendation for pentaerythritol octanoate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):3008-50-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :76366
National Institute of Allergy and Infectious Diseases:Data
[3-octanoyloxy-2,2-bis(octanoyloxymethyl)propyl] octanoate
Chemidplus:0003008502
 
References:
 [3-octanoyloxy-2,2-bis(octanoyloxymethyl)propyl] octanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:3008-50-2
Pubchem (cid):76366
Pubchem (sid):135036476
 
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
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 octanoic acid 2,2-bis(((1-oxooctyl)oxy)methyl)-1,3-propane diyl ester
(3-octanoyl oxy-2,2-bis(octanoyl oxymethyl)propyl) octanoate
[3-octanoyloxy-2,2-bis(octanoyloxymethyl)propyl] octanoate
2,2-bis(((1-oxooctyl)oxy)methyl)-1,3-propane diyl dioctanoate
 pentaerythritol caprylate
 pentaerythritol tetracaprylate
 pentaerythritol tetraoctanoate
 
 
Notes:
None found
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