(E)-tiglic acid
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IUPAC name :(E)-2-methylbut-2-enoic acid
InChI :InChI=1/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
InChIKey :UIERETOOQGIECD-ONEGZZNKBL
SMILES :C\C=C(/C)\C(=O)O
cas number :80-59-1
(EINECS) number :201-295-0
beilstein number :1236500
fema number :3599
coe number :10168
jecfa number :1205
fl. number :08.064
molar refractivity :26.67 ± 0.3 cm3
parachor :236.2 ± 4.0 cm3
index of refraction :1.450 ± 0.02
surface tension :32.2 ± 3.0 dyne/cm
density :1.010 ± 0.06 g/cm3
polarizability :10.57 ± 0.5 10-24cm3
XlogP : 0.90
molecular weight : 100.1158200 (IUPAC)
formula :C5 H8 O2
BioActivity Analysis :98449
NMR Predictor :Predict
 
 
export tariff code :2916.19.6000
fda reg :unspecified
Suppliers :
Bedoukian Research :TIGLIC ACID
≥99.0%, Kosher
Odor:  Spicy, cake-like, caramel, woody character
For bready caramel notes in fragrances.
Flavor:  brown fruity
Used in berry, bread, caramel and rum flavors.
Hofmen :Tiglic acid
99%, (naturals)
Inoue :TIGLIC ACID
Penta :trans-2-methyl-2-butenoic acid
SAFC Global® :trans-2-Methyl-2-butenoic acid
≥99%, FG, Kosher
Odor:  balsam; spicy
organoleptics :
odor type :spicy
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		sweet dry spicy woody caramel
Luebke, William tgsc, (1995)
odor sample from :Bedoukian Research, Inc.
odor description:
Pungent acidic, with a brown, ripe and fruity nuance
Mosciano, Gerard P&F 17, No. 5, 127, (1992)
taste description:
at 75.00 ppm.  		Sweet, brown, fruity, with ripe and jammy nuances
Mosciano, Gerard P&F 17, No. 5, 127, (1992)
substantivity :16  Hour(s)
properties :
appearence :white crystals
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 54.00 to 57.00 °C. @ 760.00 mm Hg
boiling point : 95.00 to 96.00 °C. @ 12.00 mm Hg
boiling point : 198.00 to 199.00 °C. @ 760.00 mm Hg
vapor pressure :0.13300 mm/Hg @ 25.00 °C.
flash point : 215.00  °F.  TCC  ( 101.67 °C. )
logP (o/w) : 1.40
safety :
most important hazard(s) :C - Corrosive.
  R 34 - Causes burns.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Human experience : 1 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 837, 1982.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 837, 1982.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for (E)-tiglic acid fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for (E)-tiglic acid flavor usage levels up to :
  75.0000 ppm in the flavor.
safety references :
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3261
 
WGK Germany :2
 
 
 
 
(E)-2-methylbut-2-enoic acid
(EINECS) number :201-295-0
RTECS :GQ5430000 for cas# 80-59-1
chemidplus :000080591
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :80-59-1
dtp/nci :44235
references :
 
(E)-2-methylbut-2-enoic acid
fl. number :08.064
jecfa number :1205
NIST Chemistry WebBook :3971914985
pubchem :149632
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 :
 cevadic acid
(E)-2,3-dimethyl acrylic acid
trans-2,3-dimethyl acrylic acid
trans-alpha,beta-dimethyl acrylic acid
(E)-2-methyl crotonic acid
trans-2-methyl crotonic acid
(E)-2-methyl-2-butenoic acid
trans-2-methyl-2-butenoic acid
(E)-2-methylbut-2-enoic acid
(E)-tiglinic acid
soluble in :
 alcohol
 water, 18500 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
 amber caraneFR
isoamyl isovalerateFL/FR
 atractylis root oilFR
 campholene acetateFL/FR
 carvacrolFL/FR
 caryophylleneFL/FR
beta-caryophylleneFL/FR
isocaryophylleneCS
alpha-caryophyllene alcoholFL/FR
 caryophyllene alcohol acetateFL/FR
 cascarilla bark oilFL/FR
 cedarwood oil atlasFR
 chamomile oilFL/FR
 cinnamon bark oilFL/FR
 cinnamon leaf oilFL/FR
 cinnamon oleoresinFL
 clove bud absoluteFL/FR
alpha-copaene 
 cumin oleoresinFL
 frankincense absoluteFL/FR
 frankincense resinoidFL/FR
 galangal root oilFL/FR
(E)-germacrene DFR
 ginger root oilFL/FR
 ginger root oil brazil 
 grains of paradise oilFL
 guaiacwood oilFL/FR
 guaiyl acetateFL/FR
(E,E)-2,4-heptadien-1-alFL/FR
 huon pine wood oilFR
 juniper berry oleoresinFL/FR
 mace oilFL/FR
 methyl phenyl sulfideFL
 mimosa absoluteFL/FR
 octanal diethyl acetalFL/FR
3-octanolFL/FR
 opoponax absoluteFL/FR
 orthodon dianthera maxim. oil vietnam 
 parsley seed oilFL/FR
 patchouli absoluteFR
 pimento berry absoluteFL/FR
 pine needle oil dwarfFL/FR
 rhubarb oxiraneFR
 rose concreteFR
 salvia atropatana bunge oil iran 
 spicy carbonateFR
 spicy pentanoneFL/FR
 spikenard oilFL/FR
 tansy flower oil canadaFR
 tansy flower oil dutchFR
 tansy leaf oil dutch 
 tansy oilFR
 theaspiraneFL/FR
 turmeric oleoresinFL
 turmeric root absoluteFL
 vanillin propylene glycol acetalFL/FR
 zedoary bark oilFL/FR
potential uses :
 banana
 berry
 bread
 caramel
 cheese
 floral
 fruit
 papaya
 passion fruit
 rum
 soy sauce
 spice
 woody
natural occurrence in :    note
 banana  
 bread  
 celery leaf S
 celery stalk S
 coffee green coffee  
 coffee roasted coffee  
 papaya  
 passion fruit S
 soya bean S
 strawberry S
data pagetansy oil canada @ 0.10% S

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