dihexyl (E)-fumarate
fumaric acid, dihexyl ester
 
Notes:
None found
  • Penta International
    • Penta International Corporation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      04-17700 DIHEXYL FUMARATE
       
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dihexyl (E)-but-2-enedioate (Click)
CAS Number: 19139-31-2Picture of molecule
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:
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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
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Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium
 fresh  floral  green  magnolia  plastic  herbal  cortex  
Odor Description:
at 100.00 %. 
fresh floral green magnolia plastic herbal cortex
Luebke, William tgsc, (1989)
Substantivity: 128 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Frinton Laboratories
For experimental / research use only.
Dihexyl Fumarate
Penta International
DIHEXYL FUMARATE
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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
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.
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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
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References:
 dihexyl (E)-but-2-enedioate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 19139-31-2
Pubchem (cid): 5271574
Pubchem (sid): 134993672
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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
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Potential Blenders and core components note
 
For Odor
aldehydic
6,7,8-decen-1-olFR
 dodecanal (aldehyde C-12 lauric)FL/FR
3-methyl-4-hexyl oxybutyraldehydeFR
 muguet undecadienalFR
balsamic
 cinnamyl formateFL/FR
citrus
 bergamot oilFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 bergamot oil turkeyFL/FR
 citral dimethyl acetalFL/FR
 citrus floral green fragranceFR
(E)-4-decenalFL/FR
isodecyl acetateFR
2,4-dimethyl-3-cyclohexene-1-methanyl acetateFR
 grapefruit pentanolFR
 nonanal dimethyl acetalFL/FR
(E)-2-tetradecenalFL/FR
2-tetradecenalFL/FR
ethereal
 ethyl 4-pentenoateFL/FR
fatty
2-decenalFL/FR
(E)-2-octenalFL/FR
floral
 acetaldehyde dibutyl acetalFL/FR
 amyl benzoateFL/FR
 amyl cyclopentanone propanoneFR
 amyl salicylateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 boronia concreteFL/FR
alpha-butyl cinnamaldehydeFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 coriander seed oil CO2 extractFL/FR
 cumin carbinolFR
 cuminyl acetaldehydeFL/FR
 dictamnus hispanicus oilFR
 dihydrocarvyl acetateFL/FR
(±)-2,3-dihydrofarnesolFL/FR
 dihydroisojasmonate methyl esterFR
 dihydrorose oxideFR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
6,8-dimethyl-2-nonanolFR
 ethyl 2-benzyl butyrateFL/FR
 ethyl phenoxyacetateFR
 farnesolFL/FR
 farnesyl acetateFL/FR
 floral butanalFR
 floral undecenoneFR
 gardenia absoluteFR
 gardenia acetalFR
 gardenia concreteFR
 geranium oilFL/FR
 geranium oil africaFL/FR
 geranium oil bourbonFL/FR
 geranium oil egyptFL/FR
 geranyl acetoneFL/FR
(E)-geranyl acetoneFL/FR
 geranyl formateFL/FR
 geranyl isobutyrateFL/FR
(Z)-4-hepten-2-yl salicylateFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl lactateFL/FR
 hyacinth oilFR
 hydrangea fragranceFR
 hydroxycitronellal diethyl acetalFL/FR
 hydroxycitronellal propylene glycol acetalFL/FR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 lilac absoluteFR
 lily fragranceFR
 lily propanolFR
 linalyl phenyl acetateFL/FR
 lotus fragranceFR
 magnolia cyclohexanolFR
 magnolia decadienalFR
 magnolia indeneFR
(2-methoxy-1-methyl propyl) benzeneFR
(3-methoxy-2-methyl propyl) benzeneFR
1-(2-methyl allyl oxy)-2-methyl butaneFR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
 muguet shiseolFL/FR
 nerolFL/FR
 neroli oil bigardeFL/FR
 neroli oil CO2 extractFL/FR
(E)-nerolidolFL/FR
 nerolidolFL/FR
 ocean propanalFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 orange leaf absoluteFL/FR
bitter orangeflower absolute tunisiaFL/FR
 orchid specialtyFR
 papaya isobutyrateFL/FR
2-pentyl cyclopentanoneFR
 phenyl acetaldehyde dicitronellyl acetalFR
 phenyl acetaldehyde diisobutyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
 propyl anthranilateFL/FR
 rhodinyl formateFL/FR
 rose butanoateFL/FR
laevo-rose oxideFL/FR
(Z)-rose oxideFL/FR
 rose petal acetateFR
 rose pyranFR
 styralyl formateFL/FR
 sweet pea absoluteFR
 terpinyl isobutyrateFL/FR
5-tricyclodecenyl acetateFR
(S,E)-3,7,11-trimethyldodeca-6,10-dienalFR
 verdyl acetateFR
 violet methyl carbonateFR
 ylang ylang flower oil IIIFL/FR
fresh
3-(3-propen-2-yl phenyl) butanalFR
fruity
 benzyl methyl etherFL/FR
 citronellyl isobutyrateFL/FR
 cyclohexyl crotonateFR
 dimethyl succinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 peach pivalateFR
 tropical indeneFR
 tropical iononeFL/FR
fungal
 jasmin nonaneFR
green
 acetaldehyde methyl hexyl acetalFR
isoamyl 3-(2-furan) propionateFL/FR
isobutyl benzyl carbinolFL/FR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
2-sec-butyl thiazoleFL/FR
 chrysanthemum oxideFL/FR
 decanal propylene glycol acetalFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 earthy acetalFL/FR
 fern fragranceFR
 flower hexeneFR
 green cyclopropionateFR
 heptanal (aldehyde C-7)FL/FR
(E)-4-hexen-1-ol 
(Z)-4-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetoacetateFL/FR
(Z)-3-hexen-1-yl angelateFR
 hexen-1-yl oxypropane nitrileFR
(Z)-3-hexen-1-yl tiglateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl (Z)-tiglateFL/FR
 hyacinth absoluteFL/FR
3,6-ivy carbaldehydeFL/FR
 ivy carbaldehydeFL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
english ivy leaf absoluteFR
(2-methoxy-1-methyl butyl) benzeneFR
[(4E,4Z)-5-methoxy-3-methyl-4-penten-1-yl] benzeneFR
 methyl cyclocitrone (IFF)FR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
6-methyl-3-hepten-2-oneFL/FR
4-methyl-4-phenyl pentanoneFR
 nerol oxideFL/FR
 octanal dimethyl acetalFL/FR
 octyl oxyacetaldehydeFR
 pelargonium graveolens stem leaf extractFR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde solutionFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
herbal
 chrysanthemum ketoneFR
 clary acetateFR
 clary sage absoluteFL/FR
 coriander oleoresinFL/FR
cis-herbal cyclohexaneFR
 herbal dioxaneFR
 linalyl acetateFL/FR
 linalyl formateFL/FR
2-methyl butyl salicylateFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 nonisyl formateFR
1-octen-3-yl acetateFL/FR
curled parsley herb oilFL/FR
 perillaldehydeFL/FR
 phenyl acetaldehyde diisoamyl acetalFR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 viridiflorolFL/FR
marine
 marine hexaneFR
medicinal
 kunzea ericoides leaf oilFR
minty
(-)-isopulegolFL/FR
spicy
isobutyraldehydeFL/FR
 cinnamyl propionateFL/FR
 cuminaldehydeFL/FR
isocyclogeraniol (IFF)FR
 spicy carbonateFR
tea
 camellia oleifera leaf extractFL/FR
waxy
3-decanoneFL/FR
woody
alpha-thujene 
 verdoxanFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde dibutyl acetalFL/FR
 amyl benzoateFL/FR
 benzyl methyl etherFL/FR
 boronia concreteFL/FR
isobutyl heptanoateFL/FR
4-butyl thiazoleFL
2-sec-butyl thiazoleFL/FR
isobutyraldehydeFL/FR
 chrysanthemum oxideFL/FR
 decanal propylene glycol acetalFL/FR
3-decanoneFL/FR
(±)-2,3-dihydrofarnesolFL/FR
 earthy acetalFL/FR
 ethyl 2-benzyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
 heptanal (aldehyde C-7)FL/FR
(Z)-3-hexen-1-yl acetoacetateFL/FR
 hexyl (Z)-tiglateFL/FR
 hyacinth absoluteFL/FR
 hydroxycitronellal propylene glycol acetalFL/FR
 ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
 linalyl formateFL/FR
 linalyl phenyl acetateFL/FR
2-methyl butyl salicylateFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
6-methyl-3-hepten-2-oneFL/FR
 nonanal dimethyl acetalFL/FR
 phenyl acetaldehyde solutionFL/FR
 propyl anthranilateFL/FR
2-propyl thiazoleFL
(-)-isopulegolFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
 styralyl formateFL/FR
 terpinyl isobutyrateFL/FR
2-tetradecenalFL/FR
alpha-thujene 
 viridiflorolFL/FR
isoamyl 3-(2-furan) propionateFL/FR
alpha-butyl cinnamaldehydeFL/FR
amber
isobutyl benzyl carbinolFL/FR
aromatic
 amyl salicylateFL/FR
citrus
 bergamot oilFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 bergamot oil turkeyFL/FR
 citral dimethyl acetalFL/FR
 nerolFL/FR
fatty
2-decenalFL/FR
(E)-2-octenalFL/FR
floral
 cinnamyl propionateFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 farnesolFL/FR
 farnesyl acetateFL/FR
 geranium oilFL/FR
 geranium oil africaFL/FR
 geranium oil bourbonFL/FR
 geranium oil egyptFL/FR
 geranyl acetoneFL/FR
(E)-geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 linalyl acetateFL/FR
 muguet shiseolFL/FR
 neroli oil bigardeFL/FR
 neroli oil CO2 extractFL/FR
 ocean propanalFL/FR
 orange leaf absoluteFL/FR
bitter orangeflower absolute tunisiaFL/FR
laevo-rose oxideFL/FR
 tropical iononeFL/FR
 ylang ylang flower oil IIIFL/FR
fruity
 citronellyl isobutyrateFL/FR
 dimethyl succinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 hexyl lactateFL/FR
 rhodinyl formateFL/FR
 rose butanoateFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
green
isobutyl methyl ketoneFL/FR
 clary sage absoluteFL/FR
 coriander oleoresinFL/FR
 cuminyl acetaldehydeFL/FR
 geranyl formateFL/FR
(E)-4-hexen-1-ol 
(Z)-4-hexen-1-olFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 methyl 2-undecynoateFL
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
 nerol oxideFL/FR
 nerolidolFL/FR
(E)-nerolidolFL/FR
 octanal dimethyl acetalFL/FR
1-octen-3-yl acetateFL/FR
 papaya isobutyrateFL/FR
(Z)-rose oxideFL/FR
herbal
 coriander seed oil CO2 extractFL/FR
curled parsley herb oilFL/FR
honey
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
melon
 hydroxycitronellal diethyl acetalFL/FR
ripe
(E)-4-decenalFL/FR
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
spicy
 cinnamyl formateFL/FR
 cuminaldehydeFL/FR
 perillaldehydeFL/FR
tea
 camellia oleifera leaf extractFL/FR
waxy
alpha-hexyl cinnamaldehydeFL/FR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
(E)-2-tetradecenalFL/FR
woody
(1S,5R)-myrtenyl acetateFL/FR
 
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Potential Uses:
 deodorants 
 odor eleminator 
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Occurrence (nature, food, other): note
 not found in nature
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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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