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benzyl ethyl malonate
propanedioic acid, ethyl phenylmethyl ester

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CAS Number: 42998-51-6Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J1.334.883I
Beilstein Number:2118375
XlogP3-AA:2.00 (est)
Molecular Weight:222.24038000
Formula:C12 H14 O4
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:pharmaceuticals / chemical synthisis
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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Pubchem Patents:Search
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.08700 @ 25.00 °C.
Refractive Index:1.50000 @ 20.00 °C.
Boiling Point: 289.70 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.002000 mmHg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 2.020 (est)
Soluble in:
 water, 525.7 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor Type: fruity
fruity winey apple
Odor Description:at 100.00 %. fruity wine apple
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
Penta International
Santa Cruz Biotechnology
For experimental / research use only.
Benzyl Ethyl Malonate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Benzyl Ethyl Malonate technical grade, 85%
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
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:
pharmaceuticals / chemical synthisis
Recommendation for benzyl ethyl malonate usage levels up to:
 not for fragrance use.
Recommendation for benzyl ethyl malonate 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 :562228
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-O-benzyl 1-O-ethyl propanedioate
 3-O-benzyl 1-O-ethyl propanedioate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):562228
Pubchem (sid):12100813
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
Export Tariff Code:2917.19.4000
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
3-O-benzyl 1-O-ethyl propanedioate
1-benzyl 3-ethyl malonate
 ethyl phenylmethyl propane-1,3-dioate
 malonic acid benzyl ethyl ester
 propanedioic acid, ethyl phenylmethyl ester
None found
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