isopropyl tiglate
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IUPAC name :propan-2-yl 3-methylbut-2-enoate
InChI :InChI=1/C8H14O2/c1-6(2)5-8(9)10-7(3)4/h5,7H,1-4H3
InChIKey :QQVQBUXUAZCLLZ-UHFFFAOYAK
SMILES :CC(C)OC(=O)C=C(C)C
cas number :1733-25-1
(EINECS) number :217-067-9
fema number :3229
coe number :10733
jecfa number :312
fl. number :09.513
molar refractivity :40.74 ± 0.3 cm3
parachor :355.9 ± 4.0 cm3
index of refraction :1.429 ± 0.02
surface tension :25.8 ± 3.0 dyne/cm
density :0.900 ± 0.06 g/cm3
polarizability :16.15 ± 0.5 10-24cm3
XlogP : 2.00
molecular weight : 142.1955600 (IUPAC)
formula :C8 H14 O2
NMR Predictor :Predict
 
 
export tariff code :2916.19.6000
fda reg :unspecified
Suppliers :
Grau Aromatics :isoPROPYL-TIGLATE*
NI, Kosher
Inoue :ISOPROPYL TIGLATE
Penta :isopropyl tiglate
SAFC Global® :Isopropyl tiglate
≥98%, Kosher
Odor:  minty; sweet
organoleptics :
odor type :minty
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  		sweet mint green vegetable spice
odor description:
Minty, cooling, green and vegetative with a spicy nuance
Mosciano, Gerard P&F 19, No. 4, 45, (1994)
taste description:
at 30.00 ppm.  		Green, minty and vegetative
Mosciano, Gerard P&F 19, No. 4, 45, (1994)
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89300 to 0.90500 @ 25.00 °C.
pounds per gallon - calc. : 7.431 to 7.531
refractive index :1.42500 to 1.43700 @ 20.00 °C.
boiling point : 73.00 °C. @ 30.00 mm Hg
flash point : 123.00  °F.  TCC  ( 50.56 °C. )
logP (o/w) : 2.75
safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 37/39 - Wear suitable gloves and eye/face protection.
Human experience : 10 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 839, 1979.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 839, 1979.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
 
recommendation for isopropyl tiglate fragrance usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for isopropyl tiglate flavor usage levels up to :
  30.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3272
 
WGK Germany :2
 
 
 
 
propan-2-yl 3-methylbut-2-enoate
(EINECS) number :217-067-9
RTECS :EM9254500 for cas# 1733-25-1
chemidplus :001733251
EPA Substance Registry Services :1733-25-1
references :
 
propan-2-yl 3-methylbut-2-enoate
fl. number :09.513
jecfa number :312
NIST Chemistry WebBook :277144288
pubchem :158917
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
1-methyl ethyl (E)-2-methyl-2-butenoate
(E)-1-methyl ethyl 2-methyl-2-butenoate
(E)- 2-methyl-2-butenoic acid 1-isopropyl ester
(E)- 2-methyl-2-butenoic acid 1-methyl ethyl ester
 propan-2-yl 3-methylbut-2-enoate
isopropyl 2-methyl crotonate
isopropyl 2-methyl-2-butenoate
isopropyl alpha-methyl crotonate
 tiglic acid isopropyl ester
Similar Products:    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
 hexyl tiglate
 methyl tiglate
3-octyl tiglate
 phenethyl tiglate
 propyl tiglate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 basil oilFL/FR
 basil oil CO2 sweetFL/FR
 basil oleoresin sweetFL/FR
 birch oil sweet americaFL/FR
 buchu mercaptanFL/FR
isobutyl angelateFL/FR
 carrot leaf oilFR
 carrot seed oilFL/FR
 carrot seed oil spainFR
 carrot weed oilFL/FR
 cinnamaldehyde dimethyl acetalFL/FR
 cinnamyl alcoholFL/FR
(E)-cinnamyl alcoholFL/FR
 coriander oleoresinFL
 cumin seed absoluteFL/FR
 currant bud absolute blackFL/FR
 cyclohexyl propanolFR
2-cyclopentyl cyclopentanoneFL/FR
 dihydroxyacetophenoneFL
 dill weed oilFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
(±)-N,N-dimethyl menthyl succinamideFL
 ethyl salicylateFL/FR
2-ethyl-4,5-dimethyl oxazoleFL
 fennel seed oilFL/FR
 geranium oilFL/FR
 grapefruit menthaneFL/FR
 guaiyl acetateFL/FR
(E)-2-hepten-1-alFL
(Z)-4-hepten-1-alFL/FR
(E,E)-2,4-hexadien-1-alFL
(E)-4-hexen-1-alFL
4-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 lychee mercaptan acetateFL/FR
homomentholFL/FR
laevo-mentholFL/FR
isomenthoneFL/FR
3-laevo-menthoxy-2-methyl propane-1,2-diolFL
dextro,laevo-menthyl acetateFL/FR
 menthyl methyl lactateFL
 methyl benzyl disulfideFL
 methyl salicylateFL/FR
2-methyl thiazoleFL
4-(methyl thio) butanolFL
3-(methyl thio) hexanolFL
bis(methyl thio) methaneFL
3-(5-methyl-2-furyl) butanalFL
(Z)-6-nonen-1-olFL/FR
 nonyl benzoate 
 ocimene quintoxideFL/FR
2,4-octadien-1-alFL
2-octanolFL/FR
2-octen-1-olFL/FR
1-penten-3-olFL/FR
2-phenyl propyl alcoholFL/FR
 phenyl propyl phenyl acetateFL/FR
 pine forest fixative-0001 
2-propyl pyrazineFL
isopropyl pyrazineFL
 propyl thioacetateFL
2-isopropyl-3-(methyl thio) pyrazineFL
 propylene glycol acetone ketalFL
isopulegolFL/FR
isopulegyl formateFL/FR
 rose absoluteFL/FR
3-tetrahydrothiophenoneFL
 thyme absoluteFL/FR
 trimethyl isopropyl butanamideFL/FR
 tropical thiazoleFL/FR
potential uses :
 licorice
 mango
 mint
 vegetable
natural occurrence in :    note
 found in nature  

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