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dihexyl (E)-fumarate

Chemical Structure

General Material Information

Preferred name dihexyl (E)-fumarate
Trivial Name Dihexyl fumarate
Short Description fumaric acid, dihexyl ester
Formula C16 H28 O4
CAS Number 19139-31-2
Deleted CAS Number 197167-00-3
ECHA Number 242-833-4
FDA UNII 6B3O343SS2
Nikkaji Number J34.714K
xLogP3-AA 4.90 (est)
NMR Predictor External link
Synonyms
  • (2E)-2-butene dioic acid dihexyl ester
  • (E)-2-butene dioic acid dihexyl ester
  • 2-butenedioic acid, dihexyl ester, (2E)-
  • dihexyl (2E)-but-2-enedioate
  • dihexyl (2E)but-2-ene-1,4-dioate
  • dihexyl (E)-but-2-ene dioate
  • dihexyl (E)-but-2-enedioate
  • (E)- dihexyl fumarate
  • dihexyl trans-2-butene dioate
  • dihexyl trans-butenedioate
  • (E)- fumaric acid dihexyl ester
  • fumaric acid, dihexyl ester
  • 2-Butenedioic acid (2E)-, 1,4-dihexyl ester
  • 2-Butenedioic acid (E)-, dihexyl ester
  • 2-Butenedioic acid (2E)-, dihexyl ester
  • Dihexyl fumarate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
Export Tariff Code:2917.19.7055
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 284.39596557617
Boiling Point 354 to 355°C @ 760 mm Hg
Vapor Pressure 2.0E-5 mmHg @ 25 °C
Flash Point TCC Value 167.22 °C TCC
logP (o/w) 5.525 est
Solubility
alcohol Yes
water, 0.08899 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Herbal
fresh, floral, green, magnolia, plastic, herbal, cortex
Odor strength medium
Substantivity 128 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 100.00 %. fresh floral green magnolia plastic herbal cortex

Potential Uses

Applications
Other purposes Deodorants, Odor eleminator
Cosmetic purposes Perfuming agents

Safety Information

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

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for dihexyl (E)-fumarate usage levels up to:
4.0000 % in the fragrance concentrate.
Recommendation for dihexyl (E)-fumarate 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):19139-31-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5271574
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
dihexyl (E)-but-2-enedioate
Chemidplus:0019139312