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

geranyl crotonate
trans-3,7-dimethyl-2,6-octadien-1-ol 2-butenoate

Supplier Sponsors

Name:[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-but-2-enoate
CAS Number: 56172-46-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:260-027-0
Nikkaji Web:J65.642I
XlogP3-AA:4.30 (est)
Molecular Weight:222.32774000
Formula:C14 H22 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 302.00 to 303.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 292.00 °F. TCC ( 144.44 °C. )
logP (o/w): 4.471 (est)
Soluble in:
 alcohol
 water, 1.115 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl crotonate
isoamyl crotonate
apple crotonate
benzyl crotonate
butyl (E)-2-crotonate
citronellyl crotonate
cyclohexyl crotonate
dimethyl benzyl carbinyl crotonate
ethyl (E)-2-crotonate
ethyl crotonate
fig crotonate
heptyl crotonate
(Z)-3-hexen-1-yl (E)-crotonate
(E)-3-hexen-1-yl crotonate
hexyl (E)-crotonate
octyl crotonate
phenethyl crotonate
3-phenyl propyl crotonate
plum crotonate
isopropyl (E)-crotonate
propyl crotonate
isopropyl 3-methyl thiocrotonate
 
Organoleptic Properties:
Odor Type: caramellic
Odor Strength:medium
Substantivity:51 hour(s) at 100.00 %
sweet caramellic maple fruity almond acorn nutty
Odor Description:at 100.00 %. sweet caramel maple fruity almond acorns nutty
Luebke, William tgsc, (1984)
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:
Grau Aromatics
GERANYL-CROTONATE
Penta International
GERANYL CROTONATE
SRS Aromatics
GERANYL CROTONATE
 
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:
oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 891, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 891, 1974.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for geranyl crotonate usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Recommendation for geranyl crotonate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):56172-46-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5980396
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-but-2-enoate
Chemidplus:0056172464
 
References:
 [(2E)-3,7-dimethylocta-2,6-dienyl] (E)-but-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:56172-46-4
Pubchem (cid):5980396
Pubchem (sid):135003725
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2916.19.7000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
cyclohexyl acetic acid
FL/FR
balsamic
2-
acetyl furan
FL/FR
buttery
acetoin
FL/FR
acetyl propionyl
FL/FR
3,4-
hexane dione
FL/FR
caramellic
2-oxo
butyric acid
FL/FR
caramel furanone solution
FL/FR
caramel pentadione
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl cyclopentenolone
FL/FR
ethyl maltol
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
fenugreek absolute
FL/FR
fenugreek oleoresin
FL/FR
immortelle absolute
FL/FR
levulinic acid
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
menthone lactone
FL/FR
mesitene lactone
FR
5-
methyl furfural
FL/FR
rosefuran
FL/FR
shoyu furanone
FL/FR
strawberry furanone
FL/FR
strawberry furanone acetate
FL/FR
toffee furanone
FL/FR
coconut
gamma-
heptalactone
FL/FR
coumarinic
tonka bean resinoid
FR
creamy
gamma-
butyrolactone
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
ethyl pyruvate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
fruity
apricot almond fragrance
FR
cinnamyl isobutyrate
FL/FR
(E)-
ethyl tiglate
FL/FR
tetrahydrofurfuryl acetate
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
herbal
acorn acetate
FR
butyl levulinate
FL/FR
3-
propylidene phthalide
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
musty
3-
acetyl-2,5-dimethyl furan
FL/FR
nutty
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
1,2-
cyclohexane dione
FL/FR
2,3-
dimethyl pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
nutty cyclohexenone
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
roasted
fenugreek resinoid
FL/FR
spicy
(E)-
tiglic acid
FL/FR
sweet
2-
hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one
FL/FR
vanilla oleoresin bali
FL/FR
tonka
tonka bean absolute
FR
vanilla
ethyl vanillin
FL/FR
vanillyl isobutyrate
FL/FR
vegetable
tetrahydrofurfuryl alcohol
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-3,4,5,6-tetrahydropyridine
FL
allyl 2-furoate
FL
benzyl disulfide
FL
1,2-
cyclohexane dione
FL/FR
2,5-
diethyl tetrahydrofuran
FL
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl 4-pentenoate
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
furfuryl acetone
FL
2-
hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one
FL/FR
menthone lactone
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
rosefuran
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
acidic
acidic
levulinic acid
FL/FR
bready
mango furanone
FL
brown
2-oxo
butyric acid
FL/FR
fenugreek oleoresin
FL/FR
5-
methyl furfural
FL/FR
tetrahydrofurfuryl acetate
FL/FR
(E)-
tiglic acid
FL/FR
burnt
furfuryl alcohol
FL
buttery
diacetyl
FL
3,4-
hexane dione
FL/FR
caramellic
caramel furanone
FL
caramel furanone solution
FL/FR
caramel pentadione
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
ethyl maltol
FL/FR
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
fenugreek absolute
FL/FR
fenugreek resinoid
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
3-
methyl butyl 2-furyl butyrate
FL
shoyu furanone
FL/FR
strawberry furanone
FL/FR
strawberry furanone acetate
FL/FR
toffee furanone
FL/FR
coffee
2-
thiophene thiol
FL
creamy
acetoin
FL/FR
fatty
2,4-
undecadienal
FL
(E,E)-2,4-
undecadienal
FL
fruity
cinnamyl isobutyrate
FL/FR
(E)-
ethyl tiglate
FL/FR
furfuryl valerate
FL
2,4-
hexadien-1-ol
FL
2-
pentanoyl furan
FL
iso
valeraldehyde propylene glycol acetal
FL/FR
green
immortelle absolute
FL/FR
3-
propylidene phthalide
FL/FR
herbal
butyl levulinate
FL/FR
5-
hydroxymethyl furfural
FL
jammy
ethyl cyclopentenolone
FL/FR
lactonic
gamma-
heptalactone
FL/FR
milky
gamma-
butyrolactone
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
musty
ethyl (E)-2-crotonate
FL/FR
nutty
2-
acetyl furan
FL/FR
3-
acetyl-2,5-dimethyl furan
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
peanut oxazole
FL
tetrahydrofurfuryl alcohol
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
rummy
ethyl pyruvate
FL/FR
sweet
caramel dione
FL
cyclohexyl acetic acid
FL/FR
vanilla oleoresin bali
FL/FR
toasted
acetyl propionyl
FL/FR
vanilla
ethyl vanillin
FL/FR
vanillyl isobutyrate
FL/FR
waxy
furfuryl octanoate
FL
 
Potential Uses:
 acorn
FRautumn
FLcaramel
FRherbal
FRmaple
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-butenoic acid 3,7-dimethyl-2,6-octadienyl ester
2-butenoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
 crotonic acid geraniol ester
((2E)-3,7-dimethyl octa-2,6-dienyl) (E)-but-2-enoate
3,7-dimethyl-2-trans, 6-octadienyl crotonate
trans-3,7-dimethyl-2,6-octadien-1-ol 2-butenoate
trans-3,7-dimethyl-2,6-octadien-1-ol, 2-butenoate
(E,E)-3,7-dimethyl-2,6-octadienyl 2-butenoate
(E)-3,7-dimethyl-2,6-octadienyl 2-butenoate
trans-3,7-dimethyl-2,6-octadienyl 2-butenoate
[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-but-2-enoate
(E)-geranyl crotonate
 geranyl-2-butenoate
(E)-neryl crotonate
2,6-octadien-1-ol, 3,7-dimethyl-, 2-butenoate, (E)-
 
 
Notes:
None found
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