hexyl tiglate
 
Notes:
Flavouring agent
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hexyl 2-methylbut-2-enoate (Click)
CAS Number: 16930-96-4Picture of molecule
ECHA EINECS - REACH Pre-Reg: 240-997-1
MDL: MFCD00016625
XlogP3-AA: 3.60 (est)
Molecular Weight: 184.27880000
Formula: C11 H20 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.88900 to 0.89900 @  25.00 °C.
Pounds per Gallon - (est).: 7.397 to  7.481
Refractive Index: 1.43900 to 1.44800 @  20.00 °C.
Boiling Point: 108.00 °C. @ 16.00 mm Hg
Boiling Point: 90.00 °C. @ 4.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.052000 mm/Hg @ 25.00 °C. (est)
Flash Point: 226.00 °F. TCC ( 108.00 °C. )
logP (o/w): 4.263 (est)
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage: store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 dipropylene glycol
 paraffin oil
 water, 15.2 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl tiglate
amyl tiglate
isoamyl tiglate
benzyl methyl tiglate
benzyl tiglate
butyl tiglate
isobutyl tiglate
cinnamyl tiglate
(E)-citronellyl tiglate
(E)-ethyl tiglate
geranyl methyl tiglate
geranyl tiglate
(Z)-3-hexen-1-yl tiglate
methyl tiglate
3-octyl tiglate
phenethyl tiglate
propyl tiglate
isopropyl tiglate
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Organoleptic Properties:
Odor Type: green
Odor Strength: high ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol. 
fresh green natural oily herbal fruity
Substantivity: 4 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Safety Information:
Most important hazard(s):
Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral/Parenteral Toxicity:
  oral-rat LD50  > 5000 mg/kg

Dermal Toxicity:
  skin-rabbit LD50 > 5000 mg/kg

Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for hexyl tiglate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 16930-96-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 28151
National Institute of Allergy and Infectious Diseases: Data
WGK Germany:3
 hexyl 2-methylbut-2-enoate
Chemidplus: 0016930964
RTECS: GQ5780000 for cas# 16930-96-4
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References:
 hexyl 2-methylbut-2-enoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 16930-96-4
Pubchem (cid): 28151
Pubchem (sid): 134991719
Pherobase: View
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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
HMDB (The Human Metabolome Database): HMDB36211
FooDB: FDB015069
Export Tariff Code: 2916.19.6000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 citrus carbaldehydeFR
 dodecanal (aldehyde C-12 lauric)FL/FR
 nonanal (aldehyde C-9)FL/FR
 octanal (aldehyde C-8)FL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
animal
para-cresyl caprylateFL/FR
anisic
 amyl furoateFL/FR
balsamic
isoamyl benzoateFL/FR
 amyris wood oilFL/FR
 cinnamyl alcoholFL/FR
 clover nitrileFR
 fir needle oil siberiaFL/FR
3-phenyl propyl alcoholFL/FR
burnt
 lepidineFL/FR
cheesy
2-methyl hexanoic acidFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 dihydromyrcenolFL/FR
 litsea cubeba oil terpenelessFL/FR
 tetrahydromyrcenolFR
earthy
 spathulenol 
ethereal
 ethyl 4-pentenoateFL/FR
floral
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 benzyl acetateFL/FR
 benzyl isobutyrateFL/FR
 bois de rose oil brazilFL/FR
isobutyl salicylateFL/FR
 cassis cyclohexeneFR
 citronellyl acetateFL/FR
 coriander seed oilFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dihydroisojasmonate methyl esterFR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 floral pyranolFR
 gardenia amideFR
 gardenia oxideFR
 geranyl acetateFL/FR
 herbal pyranFR
 hexahydrofarnesyl acetoneFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 jasmin absolute egypt (from concrete)FL/FR
 leerallFR
laevo-linaloolFL/FR
 linaloolFL/FR
 linalool oxideFL/FR
 menthadienyl formateFR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 methyl dihydrojasmonateFL/FR
 mimosa absolute franceFL/FR
 muguet carboxaldehydeFR
 nerolidolFL/FR
 neryl acetateFL/FR
 nonan-3-yl acetateFL/FR
 ocean propanalFL/FR
 petitgrain oil paraguayFL/FR
 rose butanoateFL/FR
 tetrahydrolinaloolFL/FR
 violet methyl carbonateFR
fruity
 allyl amyl glycolateFR
isoamyl butyrateFL/FR
para-anisyl propionateFL/FR
 balsam specialtyFR
 benzyl propionateFL/FR
 diethyl malonateFL/FR
 ethyl heptanoateFL/FR
 green acetateFR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
 hexyl acetateFL/FR
2-methyl butyl isovalerateFL/FR
sesquiphellandrene 
green
 acetaldehyde ethyl phenethyl acetalFL/FR
isobutyl benzyl carbinolFL/FR
isobutyl heptanoateFL/FR
 butyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
2-cyclohexyl propionaldehydeFR
 dicyclopentadiene propionateFR
 galbanum oilFL/FR
 herbal cyclohexaneFR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
2,4-ivy carbaldehydeFL/FR
(Z)-leaf acetalFL/FR
 magnolia flower oil CO2 extractFL/FR
 melon nonenoateFL/FR
 methyl heptine carbonateFL/FR
 methyl octine carbonateFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
 phenethyl tiglateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
(E,E)-sorbyl acetateFL/FR
 styralyl acetateFL/FR
 violet leaf absoluteFL/FR
herbal
alpha-amyl cinnamyl formateFL/FR
isoamyl heptanoateFL/FR
 artemisia ludoviciana oilFR
 buchu mercaptan acetateFL/FR
 butyl levulinateFL/FR
 chamomile propionateFR
 chamomile valerateFR
 clary sage oil franceFL/FR
 clary sage resin americaFR
 dimethyl benzyl carbinyl crotonateFL/FR
 herbal carbonateFR
 lavender absolute bulgariaFL/FR
 linalyl formateFL/FR
1-para-menthen-9-yl acetateFL/FR
5-methyl-3-heptanoneFL/FR
 myrtle oilFL/FR
3-octanon-1-olFL/FR
beta-sesquiphellandrene 
 rue flower oil colombia 
 rue oilFL/FR
 rue oil cubaFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil egyptFL/FR
 tagete oil rwandaFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
 tricyclodecenyl isobutyrateFR
 tricyclodecenyl propionateFR
marine
green algae absoluteFL/FR
melon
 melon heptenalFL/FR
mossy
 oakmoss absoluteFL/FR
orris
 orris capronateFL/FR
powdery
para-anisyl alcoholFL/FR
black pepper oilFL/FR
 pimenta acris leaf oilFL/FR
terpenic
alpha-terpineolFL/FR
woody
2-decalinyl acetateFR
 patchouli absoluteFR
 spruce needle oil canadaFL/FR
 woody acetateFR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
green algae absoluteFL/FR
isoamyl angelateFL/FR
alpha-amyl cinnamyl formateFL/FR
 amyl furoateFL/FR
para-anisyl propionateFL/FR
 benzyl methyl tiglateFL
isobutyl heptanoateFL/FR
(±)-(cis+trans)-1,2-dihydroperillaldehydeFL
 dimethyl benzyl carbinyl crotonateFL/FR
 ethyl 4-pentenoateFL/FR
 linalyl formateFL/FR
 magnolia flower oil CO2 extractFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 nonan-3-yl acetateFL/FR
3-octanon-1-olFL/FR
3-pentanolFL
beta-sesquiphellandrene 
sesquiphellandrene 
 rue flower oil colombia 
 spathulenol 
 althaea officinalis root tinctureFL
aldehydic
 nonanal (aldehyde C-9)FL/FR
 octanal (aldehyde C-8)FL/FR
amber
isobutyl benzyl carbinolFL/FR
animal
para-cresyl caprylateFL/FR
apple
(E,Z)-2,6-nonadien-1-olFL/FR
balsamic
 fir needle oil siberiaFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
laevo-linaloolFL/FR
 linaloolFL/FR
 petitgrain oil paraguayFL/FR
alpha-terpineolFL/FR
cooling
isobutyl salicylateFL/FR
creamy
 althaea officinalis root extractFL
 triacetinFL
fatty
 diacetyl trimerFL
(Z)-3-hexen-1-yl benzoateFL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
 bois de rose oil brazilFL/FR
 citronellyl acetateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 jasmin absolute egypt (from concrete)FL/FR
 lepidineFL/FR
 methyl dihydrojasmonateFL/FR
 neryl acetateFL/FR
 ocean propanalFL/FR
 tetrahydrolinaloolFL/FR
fruity
isoamyl benzoateFL/FR
para-anisyl alcoholFL/FR
 benzyl acetateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 buchu mercaptan acetateFL/FR
 butyl heptanoateFL/FR
 diethyl malonateFL/FR
 ethyl heptanoateFL/FR
 hexyl acetateFL/FR
1-para-menthen-9-yl acetateFL/FR
2-methyl butyl isovalerateFL/FR
5-methyl-3-heptanoneFL/FR
 rose butanoateFL/FR
 styralyl acetateFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
green
 acetaldehyde ethyl phenethyl acetalFL/FR
isoamyl salicylateFL/FR
isobutyl methyl ketoneFL/FR
 cinnamyl alcoholFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dihydromyrcenolFL/FR
 galbanum oilFL/FR
 geranyl acetateFL/FR
 hexahydrofarnesyl acetoneFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
2,4-ivy carbaldehydeFL/FR
(Z)-leaf acetalFL/FR
 linalool oxideFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl heptine carbonateFL/FR
 methyl octine carbonateFL/FR
 nerolidolFL/FR
(E,Z)-2,6-nonadienalFL/FR
 oakmoss absoluteFL/FR
 phenethyl tiglateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
(E,E)-sorbyl acetateFL/FR
 sorbyl acetateFL
 violet leaf absoluteFL/FR
herbal
isoamyl heptanoateFL/FR
 butyl levulinateFL/FR
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
 lavender absolute bulgariaFL/FR
 rue oilFL/FR
 rue oil cubaFL/FR
 tagete oil egyptFL/FR
honey
 phenyl acetaldehydeFL/FR
lemon
 litsea cubeba oil terpenelessFL/FR
oily
2-methyl hexanoic acidFL/FR
orris
 orris capronateFL/FR
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
spicy
 cumin oleoresinFL
 myrtle oilFL/FR
black pepper oilFL/FR
3-phenyl propyl alcoholFL/FR
 pimenta acris leaf oilFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
waxy
isoamyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 mimosa absolute franceFL/FR
woody
 amyris wood oilFL/FR
 spruce needle oil canadaFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 agrumen 
 apple blossomFR
 apple crabapple 
 apple greenFR
 artichoke 
 ash mountain ash 
 ash mountain ash blossom 
 asparagus 
 avocadoFR
 bark 
 basilFL/FR
 bean 
 bouquetFR
 boxwood 
 boxwood blossom 
 boxwoodberry 
 calamusFR
 carrot seedFL/FR
 celeryFL/FR
 citrusFR
 clean 
 clematisFR
 clover trefle le'trefle incarnatFR
 coconutFR
 cognacFR
 costusFL
 crabapple blossomFR
 cucumberFR
 cyclamenFR
 daffodil narcissusFR
 evergreenFR
 fennelFL/FR
 fern fougereFR
 figFR
 fir balsamFR
 fir needle pine needleFL/FR
 foliage 
 frangipanni plumeriaFR
 fresh & cleanFR
 fungus mushroomFR
 gardeniaFR
 geraniumFR
 gooseberryFR
 greenFR
 green leafFR
 guavaFR
 herbalFR
 hyacinth jacintheFR
 ivyFR
 jonquil narcissus jonquillaFR
 kiwiFR
 lilyFR
 liverwort 
 lotusFR
 magnoliaFR
 mangoFR
 mango flowerFR
 mimosaFR
 muguet lily of the valleyFR
 narcissus narcisseFR
 nutFL
 oakmoss mousse de chene mossFR
 ocean sea 
 orchidFR
 outdoors freshFR
 pansyFR
 parsleyFL/FR
 pea green pea 
 pear prickly pear 
 peonyFR
 primrose 
 privet blossom 
 reseda mignonetteFR
 rhubarbFR
 root 
 rose geraniumFR
 spearmintFR
 stephanotisFR
 sweet peaFR
 vegetable 
 wintergreenFR
 wormwood absinthiumFL/FR
 yewFR
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Occurrence (nature, food, other): note
 chamomile oil morocco @ 0.20%
Data  GC  Search Trop  Picture
 gardenia
Search Trop  Picture
 lavandin oil abrialis @ 0.19%
Data  GC  Search Trop  Picture
 lavandin oil grosso @ 0.13%
Data  GC  Search Trop  Picture
 lavender oil spike france @ 0.02%
Data  GC  Search Trop  Picture
 lavender oil spike spain @ 0.10%
Data  GC  Search Trop  Picture
 witch hazel leaf oil @ trace%
Data  GC  Search Trop  Picture
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Synonyms:
 hexyl 2-butenoate
 hexyl 2-methylbut-2-enoate
 hexyl crotonate
 hexyl tiglate
 hexyl tiglinate
2-methyl crotonic acid hexyl ester
 methyl-2-butenoic acid hexyl ester
2-methyl-2-butenoic acid, hexyl ester
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Synonyms   Articles   Notes   Search   Top
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