EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

dihexyl (E)-fumarate
fumaric acid, dihexyl ester

Sponsors

Name:dihexyl (E)-but-2-enedioate
CAS Number: 19139-31-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:242-833-4
FDA UNII:6B3O343SS2
Nikkaji Web:J34.714K
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 (Z)-fumarate
Category:fragrance agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 354.00 to 355.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000020 mm/Hg @ 25.00 °C. (est)
Flash Point: 333.00 °F. TCC ( 167.22 °C. )
logP (o/w): 5.525 (est)
Soluble in:
 alcohol
 water, 0.08899 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:medium
Substantivity:128 hour(s) at 100.00 %
fresh floral green magnolia plastic herbal cortex
Odor Description:at 100.00 %. fresh floral green magnolia plastic herbal cortex
Luebke, William tgsc, (1989)
Odor sample from: Fritzsche Dodge & Olcott, Inc.
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Frinton Laboratories
For experimental / research use only.
Dihexyl Fumarate
Penta International
DIHEXYL FUMARATE
 
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
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
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
 
References:
 dihexyl (E)-but-2-enedioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:19139-31-2
Pubchem (cid):5271574
Pubchem (sid):134993672
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2917.19.7055
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
6,7,8-
decen-1-ol
FR
3-
methyl-4-hexyl oxybutyraldehyde
FR
muguet undecadienal
FR
citrus
citrus floral green fragrance
FR
iso
decyl acetate
FR
2,4-
dimethyl-3-cyclohexene-1-methanyl acetate
FR
grapefruit pentanol
FR
floral
amyl cyclopentanone propanone
FR
anisyl propanal / methyl anthranilate schiff's base
FR
cumin carbinol
FR
dictamnus hispanicus oil
FR
dihydroisojasmonate methyl ester
FR
dihydrorose oxide
FR
6,8-
dimethyl-2-nonanol
FR
ethyl phenoxyacetate
FR
floral butanal
FR
floral undecenone
FR
gardenia absolute
FR
gardenia acetal
FR
gardenia concrete
FR
(Z)-4-
hepten-2-yl salicylate
FR
hyacinth oil
FR
hydrangea fragrance
FR
jasmin cyclopentanol
FR
jonquil absolute
FR
lilac absolute
FR
lily fragrance
FR
lily propanol
FR
lotus fragrance
FR
magnolia cyclohexanol
FR
magnolia decadienal
FR
magnolia indene
FR
(2-
methoxy-1-methyl propyl) benzene
FR
(3-
methoxy-2-methyl propyl) benzene
FR
1-(2-
methyl allyl oxy)-2-methyl butane
FR
ocean propanal / methyl anthranilate schiff's base
FR
orchid specialty
FR
2-
pentyl cyclopentanone
FR
phenyl acetaldehyde dicitronellyl acetal
FR
2-
phenyl propionaldehyde ethylene glycol acetal
FR
rose petal acetate
FR
rose pyran
FR
sweet pea absolute
FR
5-
tricyclodecenyl acetate
FR
(S,E)-3,7,11-
trimethyldodeca-6,10-dienal
FR
verdyl acetate
FR
violet methyl carbonate
FR
fresh
3-(3-
propen-2-yl phenyl) butanal
FR
fruity
cyclohexyl crotonate
FR
peach pivalate
FR
tropical indene
FR
fungal
jasmin nonane
FR
green
acetaldehyde methyl hexyl acetal
FR
fern fragrance
FR
flower hexene
FR
green cyclopropionate
FR
(Z)-3-
hexen-1-yl angelate
FR
hexen-1-yl oxypropane nitrile
FR
ivy carbaldehyde / methyl anthranilate schiff's base
FR
ivy dioxolane
FR
english
ivy leaf absolute
FR
(2-
methoxy-1-methyl butyl) benzene
FR
[(4E,4Z)-5-
methoxy-3-methyl-4-penten-1-yl] benzene
FR
methyl cyclocitrone (IFF)
FR
4-
methyl-4-phenyl pentanone
FR
octyl oxyacetaldehyde
FR
pelargonium graveolens stem leaf extract
FR
herbal
chrysanthemum ketone
FR
clary acetate
FR
cis-
herbal cyclohexane
FR
herbal dioxane
FR
nonisyl formate
FR
phenyl acetaldehyde diisoamyl acetal
FR
marine
marine hexane
FR
medicinal
kunzea ericoides leaf oil
FR
spicy
iso
cyclogeraniol (IFF)
FR
spicy carbonate
FR
woody
verdoxan
FR
For Flavor
No flavor group found for these
4-
butyl thiazole
FL
2-
propyl thiazole
FL
green
green
methyl 2-undecynoate
FL
 
Potential Uses:
 deodorants
 odor eleminator
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 

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