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

hexyl tiglate
2-methyl-2-butenoic acid, hexyl ester

Sponsors

Name:hexyl 2-methylbut-2-enoate
CAS Number: 16930-96-4Picture of molecule3D/inchi
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
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"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: 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
 
Organoleptic Properties:
Odor Type: green
Odor Strength:high ,
recommend smelling in a 10.00 % solution or less
Substantivity: > 4 hour(s) at 100.00 %
fresh green natural oily herbal fruity
Odor Description:at 10.00 % in dipropylene glycol. fresh green natural oily herbal fruity
Luebke, William tgsc, (1994)
Odor sample from: Sigma-Aldrich
Flavor Type: green
">green nasturtium oily creamy herbal plastic
Taste Description: green nasturtium oily creamy herbal plastic
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
HEXYL TIGLATE ≥98.0%, Kosher
Odor Description:fresh, green, fruity
Used in fresh outdoors type fragrances.
Indukern F&F
HEXYL TIGLATE
Odor Description:FRESH, GREEN, FRUITY
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Bedoukian Research
HEXYL TIGLATE
≥98.0%, Kosher
Odor: fresh, green, fruity
Use: Used in fresh outdoors type fragrances.
Berjé
Hexyl Tiglate
Happening at Berje
BOC Sciences
For experimental / research use only.
HEXYL TIGLATE 98.0%
Ernesto Ventós
HEXYL TIGLATE
Grau Aromatics
HEXYL-TIGLATE*
NI, Kosher
Indukern F&F
HEXYL TIGLATE
Odor: FRESH, GREEN, FRUITY
Inoue Perfumery
HEXYL TIGLATE
Penta International
HEXYL TIGLATE, Kosher
SRS Aromatics
HEXYL CROTONATE FCC
Synerzine
n-Hexyl Tiglate
The Good Scents Company
hexyl tiglate
Odor: fresh green natural oily herbal fruity
 
Safety Information:
European 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.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Skin irritation (Category 2), H315
Eye irritation (Category 2A), H319
Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335
GHS Label elements, including precautionary statements
 
Pictogramexclamation-mark.jpg
 
Signal word Warning
Hazard statement(s)
H315 - Causes skin irritation
H319 - Causes serious eye irritation
H335 - May cause respiratory irritation
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 - Wash skin thouroughly after handling.
P271 - Use only outdoors or in a well-ventilated area.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
P321 - Specific treatment (see supplemental first aid instructions on this label).
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P337 + P313 - IF eye irritation persists: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
P403 + P233 - Store in a well-ventilated place. Keep container tightly closed.
P405 - Store locked up.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Dispose of contents/ container to an approved waste disposal plant.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Dispose of contents/ container to an approved waste disposal plant.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for hexyl tiglate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
 
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
 
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
 
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
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
citrus carbaldehyde
FR
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 caprylate
FL/FR
anisic
amyl furoate
FL/FR
balsamic
iso
amyl benzoate
FL/FR
amyris wood oil
FL/FR
cinnamyl alcohol
FL/FR
clover nitrile
FR
fir needle oil siberia
FL/FR
3-
phenyl propyl alcohol
FL/FR
burnt
lepidine
FL/FR
cheesy
2-
methyl hexanoic acid
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
dihydromyrcenol
FL/FR
litsea cubeba oil terpeneless
FL/FR
tetrahydromyrcenol
FR
ethereal
ethyl 4-pentenoate
FL/FR
floral
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
iso
amyl salicylate
FL/FR
benzyl acetate
FL/FR
benzyl isobutyrate
FL/FR
bois de rose oil brazil
FL/FR
iso
butyl salicylate
FL/FR
cassis cyclohexene
FR
citronellyl acetate
FL/FR
coriander seed oil
FL/FR
cyclohexyl ethyl alcohol
FL/FR
dihydroisojasmonate methyl ester
FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
floral pyranol
FR
gardenia amide
FR
gardenia oxide
FR
geranyl acetate
FL/FR
herbal pyran
FR
hexahydrofarnesyl acetone
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
ho leaf oil
FR
jasmin absolute egypt (from concrete)
FL/FR
leerall
FR
laevo-
linalool
FL/FR
linalool
FL/FR
linalool oxide
FL/FR
menthadienyl formate
FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
methyl dihydrojasmonate
FL/FR
mimosa absolute france
FL/FR
muguet carboxaldehyde
FR
nerolidol
FL/FR
neryl acetate
FL/FR
nonan-3-yl acetate
FL/FR
ocean propanal
FL/FR
petitgrain oil paraguay
FL/FR
rose butanoate
FL/FR
tetrahydrolinalool
FL/FR
violet methyl carbonate
FR
fruity
allyl amyl glycolate
FR
iso
amyl butyrate
FL/FR
para-
anisyl propionate
FL/FR
balsam specialty
FR
benzyl propionate
FL/FR
diethyl malonate
FL/FR
ethyl heptanoate
FL/FR
green acetate
FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
hexyl acetate
FL/FR
2-
methyl butyl isovalerate
FL/FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
iso
butyl benzyl carbinol
FL/FR
butyl heptanoate
FL/FR
iso
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
2-
cyclohexyl propionaldehyde
FR
dicyclopentadiene propionate
FR
galbanum oil
FL/FR
herbal cyclohexane
FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl 2-methyl butyrate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
(Z)-
leaf acetal
FL/FR
magnolia flower oil CO2 extract
FL/FR
melon nonenoate
FL/FR
methyl heptine carbonate
FL/FR
methyl octine carbonate
FL/FR
(E,Z)-2,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
phenethyl tiglate
FL/FR
phenyl acetaldehyde
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
styralyl acetate
FL/FR
violet leaf absolute
FL/FR
herbal
alpha-
amyl cinnamyl formate
FL/FR
iso
amyl heptanoate
FL/FR
artemisia ludoviciana oil
FR
buchu mercaptan acetate
FL/FR
butyl levulinate
FL/FR
chamomile propionate
FR
chamomile valerate
FR
clary sage oil france
FL/FR
clary sage resin america
FR
dimethyl benzyl carbinyl crotonate
FL/FR
herbal carbonate
FR
lavender absolute bulgaria
FL/FR
linalyl formate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
5-
methyl-3-heptanone
FL/FR
myrtle oil
FL/FR
3-
octanon-1-ol
FL/FR
rue oil
FL/FR
rue oil cuba
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil egypt
FL/FR
tagete oil rwanda
FL/FR
tagete oil turkey
FL/FR
tagete oil zambia
FL/FR
tricyclodecenyl isobutyrate
FR
tricyclodecenyl propionate
FR
marine
green
algae absolute
FL/FR
melon
melon heptenal
FL/FR
mossy
oakmoss absolute
FL/FR
orris
orris capronate
FL/FR
powdery
para-
anisyl alcohol
FL/FR
spicy
black
pepper oil
FL/FR
pimenta acris leaf oil
FL/FR
terpenic
alpha-
terpineol
FL/FR
woody
2-
decalinyl acetate
FR
patchouli absolute
FR
spruce needle oil canada
FL/FR
woody acetate
FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
green
algae absolute
FL/FR
iso
amyl angelate
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
amyl furoate
FL/FR
para-
anisyl propionate
FL/FR
benzyl methyl tiglate
FL
iso
butyl heptanoate
FL/FR
(±)-(cis+trans)-1,2-
dihydroperillaldehyde
FL
dimethyl benzyl carbinyl crotonate
FL/FR
ethyl 4-pentenoate
FL/FR
linalyl formate
FL/FR
magnolia flower oil CO2 extract
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
nonan-3-yl acetate
FL/FR
3-
octanon-1-ol
FL/FR
3-
pentanol
FL
althaea officinalis root tincture
FL
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
octanal (aldehyde C-8)
FL/FR
amber
iso
butyl benzyl carbinol
FL/FR
animal
para-
cresyl caprylate
FL/FR
apple
(E,Z)-2,6-
nonadien-1-ol
FL/FR
balsamic
fir needle oil siberia
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
linalool
FL/FR
laevo-
linalool
FL/FR
petitgrain oil paraguay
FL/FR
alpha-
terpineol
FL/FR
cooling
iso
butyl salicylate
FL/FR
creamy
althaea officinalis root extract
FL
triacetin
FL
fatty
diacetyl trimer
FL
(Z)-3-
hexen-1-yl benzoate
FL/FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
bois de rose oil brazil
FL/FR
citronellyl acetate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
lepidine
FL/FR
methyl dihydrojasmonate
FL/FR
neryl acetate
FL/FR
ocean propanal
FL/FR
tetrahydrolinalool
FL/FR
fruity
iso
amyl benzoate
FL/FR
para-
anisyl alcohol
FL/FR
benzyl acetate
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
buchu mercaptan acetate
FL/FR
butyl heptanoate
FL/FR
diethyl malonate
FL/FR
ethyl heptanoate
FL/FR
hexyl acetate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
2-
methyl butyl isovalerate
FL/FR
5-
methyl-3-heptanone
FL/FR
rose butanoate
FL/FR
styralyl acetate
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
tagete oil turkey
FL/FR
tagete oil zambia
FL/FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
iso
amyl salicylate
FL/FR
iso
butyl methyl ketone
FL/FR
cinnamyl alcohol
FL/FR
cyclohexyl ethyl alcohol
FL/FR
dihydromyrcenol
FL/FR
galbanum oil
FL/FR
geranyl acetate
FL/FR
hexahydrofarnesyl acetone
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl 2-methyl butyrate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
(Z)-
leaf acetal
FL/FR
linalool oxide
FL/FR
melon heptenal
FL/FR
melon nonenoate
FL/FR
methyl heptine carbonate
FL/FR
methyl octine carbonate
FL/FR
nerolidol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
oakmoss absolute
FL/FR
phenethyl tiglate
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
sorbyl acetate
FL
violet leaf absolute
FL/FR
herbal
iso
amyl heptanoate
FL/FR
butyl levulinate
FL/FR
clary sage oil france
FL/FR
coriander seed oil
FL/FR
lavender absolute bulgaria
FL/FR
rue oil
FL/FR
rue oil cuba
FL/FR
tagete oil egypt
FL/FR
honey
phenyl acetaldehyde
FL/FR
lemon
litsea cubeba oil terpeneless
FL/FR
oily
2-
methyl hexanoic acid
FL/FR
orris
orris capronate
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
spicy
cumin oleoresin
FL
myrtle oil
FL/FR
black
pepper oil
FL/FR
3-
phenyl propyl alcohol
FL/FR
pimenta acris leaf oil
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
waxy
iso
amyl butyrate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
mimosa absolute france
FL/FR
woody
amyris wood oil
FL/FR
spruce needle oil canada
FL/FR
 
Potential Uses:
FRagrumen aldehyde
FRapple blossom
 apple crabapple
FRapple green apple
FLartichoke
 ash mountain ash
 ash mountain ash blossom
FLasparagus
FRavocado
 bark
FRbasil oil replacer
 bean
FRbouquet
 boxwood
 boxwood blossom
 boxwoodberry
FRcalamus oil replacer
FL/FRcarrot seed
FRcelery
FRcitrus
 clean
FRclematis
FRclover
FRcoconut
FRcognac
FRcostus
FRcrabapple blossom
FRcucumber
FRcyclamen
FRdaffodil
FRevergreen
FRfennel
FRfern
FRfig
FRfir balsam
FRfir needle oil replacer
 foliage
FRfrangipani plumeria
FRfresh and clean
FRfresh outdoors
FRfungus
FRgardenia
FRgeranium
FRgooseberry
FRgreen
FRgreen leaf
FRguava
FRherbal
FRhyacinth
FRivy
FRjonquil
FRkiwi
FRlily
FRlily of the valley
 liverwort
FRlotus
FRmagnolia
FRmango
FRmango flower
FRmimosa
FRmoss
FRnarcissus
FLnut
 ocean sea
FRorchid
FRpansy
FL/FRparsley leaf
 pea green pea
FLpear prickly pear
FRpeony
FRprimrose
 privet blossom
FRreseda
FRrhubarb
 root
FRrose geranium
FRspearmint
FRstephanotis
FRsweet pea
FLvegetable
FRwintergreen
FRwormwood oil replacer
FRyew
 
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
 
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
 
 
Notes:
Flavouring agent
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