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neopentyl glycol dibenzoate
1,3-propanediol, 2,2-dimethyl-, dibenzoate

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Name:(3-benzoyloxy-2,2-dimethylpropyl) benzoate
CAS Number: 4196-89-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:224-081-9
FDA UNII: JBP9MR90CQ
Nikkaji Web:J31.423D
MDL:MFCD00020674
XlogP3-AA:4.50 (est)
Molecular Weight:312.36520000
Formula:C19 H20 O4
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:indirect food additives: adhesives and components of coatings
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
US Patents:Search
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PubMed:Search
NCBI:Search
DG SANTE Food Contact Materials:neopentyl glycol, diester with benzoic acid
FDA Mainterm (IAUFC):4196-89-8 ; 2,2-DIMETHYL-1,3-PROPANEDIOL DIBENZOATE
FDA Regulation:
FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS
Subpart B--Substances for Use Only as Components of Adhesives
Sec. 175.105 Adhesives.
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 436.00 to 437.00 °C. @ 760.00 mm Hg (est)
Flash Point: 420.00 °F. TCC ( 215.80 °C. ) (est)
logP (o/w): 5.067 (est)
Soluble in:
 water, 1.053 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.
neopentyl glycol dibenzoate 95%
Santa Cruz Biotechnology
For experimental / research use only.
neoPentyl Glycol Dibenzoate
Sigma-Aldrich: Aldrich
For experimental / research use only.
neoPentyl Glycol Dibenzoate
TCI AMERICA
For experimental / research use only.
neoPentyl Glycol Dibenzoate
 
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:
indirect food additives: adhesives and components of coatings
Recommendation for neopentyl glycol dibenzoate usage levels up to:
 not for fragrance use.
 
Recommendation for neopentyl glycol dibenzoate 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):4196-89-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :20169
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(3-benzoyloxy-2,2-dimethylpropyl) benzoate
Chemidplus:0004196898
 
References:
 (3-benzoyloxy-2,2-dimethylpropyl) benzoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):20169
Pubchem (sid):134985073
 
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
FDA Indirect Additives used in Food Contact Substances:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2917.39.7000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
(3-benzoyl oxy-2,2-dimethyl propyl) benzoate
3-(benzoyloxy)-2,2-dimethylpropyl benzoate
(3-benzoyloxy-2,2-dimethylpropyl) benzoate
2,2-dimethyl-1,3-propanediol dibenzoate
2,2-dimethylpropane-1,3-diyl dibenzoate
neopentyl glycol, diester with benzoic acid
1,3-propanediol, 2,2-dimethyl-, dibenzoate
 
 
Notes:
None found
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