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

(E)-methyl tiglate
methyl trans-2-methylcrotonate

Supplier Sponsors

Name:methyl (E)-2-methylbut-2-enoate
CAS Number: 6622-76-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:229-575-8
Nikkaji Web:J45.087A
Beilstein Number:1720455
MDL:MFCD00016654
XlogP3-AA:1.30 (est)
Molecular Weight:114.14410000
Formula:C6 H10 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
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
FLAVIS Number:09.624 (Old)
DG SANTE Food Flavourings:09.624 methyl trans-2-methylcrotonate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.93800 to 0.94400 @ 25.00 °C.
Pounds per Gallon - (est).: 7.805 to 7.855
Refractive Index:1.43000 to 1.43600 @ 20.00 °C.
Boiling Point: 137.00 to 138.00 °C. @ 758.00 mm Hg
Boiling Point: 139.00 °C. @ 760.00 mm Hg
Vapor Pressure:13.379000 mmHg @ 25.00 °C. (est)
Flash Point: 95.00 °F. TCC ( 35.00 °C. )
logP (o/w): 1.869 (est)
Soluble in:
 alcohol
 water, slightly
 water, 3813 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
hexyl tiglate
3-octyl tiglate
phenethyl tiglate
propyl tiglate
isopropyl tiglate
 
Organoleptic Properties:
Odor Type: ethereal
Odor Strength:high ,
recommend smelling in a 10.00 % solution or less
ethereal rummy
Odor Description:at 10.00 % in dipropylene glycol. ethereal rum
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methyl Tiglate
Carbosynth
For experimental / research use only.
Methyl Tiglate
Inoue Perfumery
METHYL TIGLATE
Penta International
METHYL TIGLATE
Santa Cruz Biotechnology
For experimental / research use only.
Methyl Tiglate 98%
Synerzine
Methyl Tiglate
TCI AMERICA
For experimental / research use only.
Methyl Tiglate >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
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.
 
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 LDLo 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 387, 1988.

Dermal Toxicity:
skin-rabbit LDLo 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 387, 1988.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for (E)-methyl tiglate usage levels up to:
  0.6000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5
View page or View pdf

Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters
View page or View pdf

Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010)
View page or View pdf

Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05Rev1 (2008)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):6622-76-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5323652
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:2
methyl (E)-2-methylbut-2-enoate
Chemidplus:0006622760
RTECS:EM9254600 for cas# 6622-76-0
 
References:
 methyl (E)-2-methylbut-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:6622-76-0
Pubchem (cid):5323652
Pubchem (sid):134988433
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.60.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
balsamic
iso
amyl pyruvate
FL/FR
caramellic
ethyl cyclopentenolone
FL/FR
maltyl isobutyrate
FL/FR
ethereal
decyl propionate
FL/FR
ethyl acetate
FL/FR
ethyl pyruvate
FL/FR
1-
hexen-3-ol
FL/FR
propyl formate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
floral
ethyl hydrocinnamate
FL/FR
linalyl propionate
FL/FR
phenethyl acetate
FL/FR
fruity
allyl hexanoate
FL/FR
berry pentadienoate
FL/FR
iso
butyl butyrate
FL/FR
butyl formate
FL/FR
cyclohexanone diethyl acetal
FL/FR
ethyl heptanoate
FL/FR
ethyl propionate
FL/FR
fruity carboxylate
FR
3-
hexanone
FL/FR
methyl propionate
FL/FR
2-
phenyl propyl butyrate
FL/FR
prenyl formate
FL/FR
propyl isobutyrate
FL/FR
tetrahydrofurfuryl acetate
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl acetate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(E)-2-
hexen-1-yl phenyl acetate
FL/FR
herbal
viridiflorol
FL/FR
honey
allyl phenyl acetate
FL/FR
jammy
ethyl 2-methyl-2-pentenoate
FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
passiflora acetate
FL/FR
waxy
ethyl nonanoate
FL/FR
For Flavor
No flavor group found for these
iso
amyl pyruvate
FL/FR
butyl formate
FL/FR
cyclohexanone diethyl acetal
FL/FR
decyl propionate
FL/FR
ethyl hydrocinnamate
FL/FR
(E)-2-
hexen-1-yl phenyl acetate
FL/FR
2-
methyl butyl propionate
FL
prenyl formate
FL/FR
viridiflorol
FL/FR
brown
brown
tetrahydrofurfuryl acetate
FL/FR
caramellic
pyruvaldehyde
FL
cheesy
methyl ketones
FL
earthy
1-
hexen-3-yl acetate
FL
ethereal
ethyl acetate
FL/FR
fruity
allyl hexanoate
FL/FR
berry pentadienoate
FL/FR
iso
butyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl propionate
FL/FR
3-
hexanone
FL/FR
methyl propionate
FL/FR
propyl formate
FL/FR
propyl isobutyrate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
cassis pentanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl acetate
FL/FR
1-
hexen-3-ol
FL/FR
herbal
linalyl propionate
FL/FR
honey
allyl phenyl acetate
FL/FR
phenethyl acetate
FL/FR
jammy
ethyl cyclopentenolone
FL/FR
maltyl isobutyrate
FL/FR
musty
ethyl (E)-2-crotonate
FL/FR
rummy
ethyl pyruvate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
spicy
2-
phenyl propyl butyrate
FL/FR
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical
passiflora acetate
FL/FR
waxy
ethyl nonanoate
FL/FR
 
Potential Uses:
FLbutter rum
FLbutterscotch
FRfruit
FLrum
FLtoffee
 
Occurrence (nature, food, other):note
 chamomile oil german
Search Picture
 champaca concrete @ trace%
Data GC Search Trop Picture
 naraniilla fruit
Search Trop Picture
 star fruit fruit
Search Trop Picture
 
Synonyms:
2-butenoic acid, 2-methyl-, methyl ester, (2E)-
2-butenoic acid, 2-methyl-, methyl ester, (E)-
(E)-2-carbomethoxy-2-butene
2-carbomethoxy-2-butene, (E)-
 crotonic acid, 2-methyl-, methyl ester, (E)-
 methyl (2E)-2-methyl-2-butenoate
 methyl (2E)-2-methylbut-2-enoate
 methyl (E)-2-methyl crotonate
 methyl (E)-2-methyl-2-butenoate
 methyl (E)-2-methylbut-2-enoate
 methyl (E)-2-methylcrotonate
(E)-methyl 2-methyl crotonate
(E)-methyl alpha-methyl crotonate
(E)-2-methyl crotonic acid methyl ester
 methyl trans-2-methyl crotonate
 methyl trans-2-methyl-2-butenoate
 methyl trans-2-methylcrotonate
 methyl trans-2,3-dimethylacrylate
(E)-2-methyl-but-2-enoic acid methyl ester
(E)-2-methylcrotonic acid methyl ester
(E)-tiglic acid methyl ester
 

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