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calcium ethyl acetoacetate
acetoacetic acid ethyl ester calcium complex (2:1)

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CAS Number: 16715-59-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:240-769-1
FDA UNII: 05DZX5842X
Molecular Weight:298.34866000
Formula:C12 H18 Ca O6
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:
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FDA Mainterm (IAUFC):16715-59-6 ; CALCIUM ETHYL ACETOACETATE
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: 225.00 to 226.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.017300 mmHg @ 25.00 °C. (est)
Flash Point: 197.00 °F. TCC ( 91.70 °C. ) (est)
logP (o/w): 0.239 (est)
Soluble in:
 water, 5.617e+004 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.
Calcium bis(2-ethoxycarbonyl-1-methylvinyl oxide)
 
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 9930 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
indirect food additives: adhesives and components of coatings
Recommendation for calcium ethyl acetoacetate usage levels up to:
 not for fragrance use.
 
Recommendation for calcium ethyl acetoacetate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :54692148
National Institute of Allergy and Infectious Diseases:Data
calcium (Z)-4-ethoxy-4-oxobut-2-en-2-olate
Chemidplus:0016715596
 
References:
 calcium (Z)-4-ethoxy-4-oxobut-2-en-2-olate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):54692148
Pubchem (sid):134992148
 
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
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:
 acetoacetic acid ethyl ester calcium complex (2:1)
 calcium (Z)-4-ethoxy-4-oxobut-2-en-2-olate
 calcium bis(2-ethoxycarbonyl-1-methylvinyl oxide)
 calcium ethyl acetyl acetonate
 calcium ethyl acetylacetonate
 ethyl acetoacetate calcium salt
 
 
Notes:
None found
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