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diallyl adipate
hexanedioic acid, di-2-propenyl ester

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Name:bis(prop-2-enyl) hexanedioate
CAS Number: 2998-04-1Picture of molecule3D/inchi
Other(deleted CASRN):109298-40-0
ECHA EINECS - REACH Pre-Reg:221-071-6
FDA UNII: Search
Nikkaji Web:J47.010D
Beilstein Number:1790571
MDL:MFCD00039826
XlogP3-AA:1.90 (est)
Molecular Weight:226.27226000
Formula:C12 H18 O4
BioActivity Summary:listing
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:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 288.40 °C. @ 760.00 mm Hg (est)
Flash Point: 273.00 °F. TCC ( 133.80 °C. ) (est)
logP (o/w): 2.660 (est)
Soluble in:
 water, 74.86 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.
Diallyl Adipate
Santa Cruz Biotechnology
For experimental / research use only.
Diallyl Adipate
TCI AMERICA
For experimental / research use only.
Diallyl Adipate
 
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:
oral-mouse LD50 180 mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 3, 1961.

oral-rat LDLo 420 mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 3, 1961.

Dermal Toxicity:
skin-rabbit LDLo 1000 mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 3, 1961.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for diallyl adipate usage levels up to:
 not for fragrance use.
 
Recommendation for diallyl adipate 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):2998-04-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :18139
National Institute of Allergy and Infectious Diseases:Data
bis(prop-2-enyl) hexanedioate
Chemidplus:0002998041
 
References:
 bis(prop-2-enyl) hexanedioate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):18139
Pubchem (sid):134983567
Pherobase:View
 
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:2917.12.5000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 adipic acid diallyl ester
 adipic acid, diallyl ester
 allyl adipate
 hexane dioic acid di-2-propenyl ester
 hexanedioic acid, 1,6-di-2-propen-1-yl ester
 hexanedioic acid, di-2-propenyl ester
bis(prop-2-enyl) hexanedioate
 
 
Notes:
None found
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