pentaerythrityl monobehenate
docosanoic acid 3-hydroxy-2,2-bis(hydroxymethyl) propyl ester
 
Notes:
None found
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CAS Number: 53161-46-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 258-401-3
FDA UNII: HN66T7Z22J
Nikkaji Web: J122.523E
XlogP3-AA: 8.80 (est)
Molecular Weight: 458.72338000
Formula: C27 H54 O5
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 2.401e-005 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
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Safety in Use Information:
Category: information only not used for fragrances or flavors
Recommendation for pentaerythrityl monobehenate usage levels up to:
 not for fragrance use.
 
Recommendation for pentaerythrityl monobehenate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 53161-46-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 104420
National Institute of Allergy and Infectious Diseases: Data
 [3-hydroxy-2,2-bis(hydroxymethyl)propyl] docosanoate
Chemidplus: 0053161469
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References:
 [3-hydroxy-2,2-bis(hydroxymethyl)propyl] docosanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 104420
Pubchem (sid): 135060442
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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
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 docosanoic acid 3-hydroxy-2,2-bis(hydroxymethyl) propyl ester
3-hydroxy-2,2-bis(hydroxymethyl) propyl docosanoate
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] docosanoate
 pentaerythritol behenate
 pentaerythritol monobehenate
 pentaerythrityl behenate
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