dihexyl (Z)-fumarate
(Z)-fumaric acid dihexyl ester
 
Notes:
None found
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CAS Number: 16064-83-8Picture of molecule3D/inchi
Other(deleted CASRN): 197166-94-2
FDA UNII: 644078XM7J
Nikkaji Web: J114.861C
Beilstein Number: 1712882
XlogP3-AA: 4.90 (est)
Molecular Weight: 284.39596000
Formula: C16 H28 O4
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: dihexyl (E)-fumarate
Category: fragrance agents
 
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FDA Mainterm (IAUFC):16064-83-8 ; HEXYL MALEATE
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 359.10 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.000020 mmHg @ 25.00 °C. (est)
Flash Point: 333.00 °F. TCC ( 167.40 °C. ) (est)
logP (o/w): 5.525 (est)
Soluble in:
 alcohol
 water, 0.08899 mg/L @ 25 °C (est)
Insoluble in:
 water
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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: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for dihexyl (Z)-fumarate usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Recommendation for dihexyl (Z)-fumarate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
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EPA Substance Registry Services (TSCA): 16064-83-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5271573
National Institute of Allergy and Infectious Diseases: Data
 dihexyl (Z)-but-2-enedioate
Chemidplus: 0016064838
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References:
 dihexyl (Z)-but-2-enedioate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5271573
Pubchem (sid): 135042378
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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
FDA Indirect Additives used in Food Contact Substances:View
CHEMBL: View
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:
(2Z)-2-butene dioic acid dihexyl ester
(Z)-2-butene dioic acid dihexyl ester
 dihexyl (Z)-but-2-ene dioate
 dihexyl (Z)-but-2-enedioate
 dihexyl cis-2-butene dioate
(Z)-dihexyl fumarate
(Z)-fumaric acid dihexyl ester
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