benzyl tiglate
benzyl 2-methyl-2-butenoate
 
Notes:
Flavouring agent
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CAS Number: 67674-41-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 266-880-5
MDL: MFCD00017279
CoE Number: 2184
XlogP3-AA: 2.80 (est)
Molecular Weight: 190.24198000
Formula: C12 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Mixture of (Z)- and (E)-isomer, 60-90 % E-form and 10-40 % Z-form (EFFA,2012k).
Category: flavor and fragrance agents
 
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DG SANTE Food Flavourings: 09.858  benzyl 2-methyl-2-butenoate
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.02900 to 1.04000 @  25.00 °C.
Pounds per Gallon - (est).: 8.562 to  8.654
Refractive Index: 1.51500 to 1.52600 @  20.00 °C.
Boiling Point: 250.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.008000 mmHg @ 25.00 °C. (est)
Flash Point: 276.00 °F. TCC ( 135.56 °C. )
logP (o/w): 3.036 (est)
Soluble in:
 alcohol
 water, 61.75 mg/L @ 25 °C (est)
Similar Items: note
allyl tiglate
amyl tiglate
isoamyl tiglate
benzyl methyl 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
isopropyl tiglate
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Organoleptic Properties:
 
Odor Type: earthy
 
Odor Strength: medium
 
 earthy  mushroom  green  
Odor Description:
at 100.00 %. 
earthy mushroom green
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Sigma-Aldrich: Aldrich
For experimental / research use only.
Benzyl Tiglate
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Safety Information:
Preferred SDS: View
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.037 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 770 (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): --
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 5.000008.00000
Meat and meat products, including poultry and game (08.0): --
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.000008.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of benzyl derivatives used as flavor ingredients. View pdf
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):
Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 67674-41-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61967
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 benzyl 2-methylbut-2-enoate
Chemidplus: 0067674413
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References:
 benzyl 2-methylbut-2-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 61967
Pubchem (sid): 135064254
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (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): HMDB37627
FooDB: FDB016741
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
balsamic
balsamic
(E)-benzyl tiglateFL/FR
T-cadinolFL/FR
buttery
3,4-hexane dioneFL/FR
creamy
 butyl lactateFL/FR
earthy
 dibenzyl etherFL/FR
1-nonen-3-olFL/FR
3-octanolFL/FR
1-octen-3-olFL/FR
1-octen-3-oneFL/FR
fatty
(E)-2-decenalFL/FR
fermented
 butyl laevo-lactateFL/FR
floral
6,8-dimethyl-2-nonanolFR
 herbal pyranFR
 nonyl octanoateFL/FR
 octyl acetateFL/FR
 phenethyl butyl etherFR
2-phenyl propionaldehyde dimethyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
fruity
2,2-dimethyl-6,8-nonadien-3-ol 
 octyl propionateFL/FR
fungal
1-decen-3-olFL/FR
 methyl 2-furoateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
(Z)-leaf acetalFL/FR
 melon acetalFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
1,5-undecadien-4-ol 
3-octanoneFL/FR
honey
 phenethyl furoateFL/FR
metallic
1,4-dipentyl-6,8-dioxabicyclo(3.2.1)octaneFR
3-octen-2-olFL/FR
(R)-1-octen-3-olFL/FR
1-octen-3-yl butyrateFL/FR
nutty
2-methyl-3-(methyl thio) pyrazineFL/FR
waxy
 methyl laurateFL/FR
(Z)-3-nonen-1-olFL/FR
woody
 agarwood oil (aetoxylon sympetalum)FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
T-cadinolFL/FR
2,2-dimethyl-6,8-nonadien-3-ol 
 furfural diethyl acetalFL
(S)-(+)-2-hexanolFL
tris(methyl thio) methaneFL
2-methyl-3-(methyl thio) pyrazineFL/FR
 nonyl octanoateFL/FR
1,5-octadien-3-olFL
(E)-2-penten-1-olFL
2-pentyl-1-buten-3-oneFL
 phenethyl furoateFL/FR
1,5-undecadien-4-ol 
balsamic
(E)-benzyl tiglateFL/FR
buttery
 butyl laevo-lactateFL/FR
3,4-hexane dioneFL/FR
caramellic
 methyl 2-furoateFL/FR
coffee
 difurfuryl etherFL
creamy
 acetyl ethyl carbinolFL
dairy
 butyl lactateFL/FR
earthy
1-decen-3-olFL/FR
1-nonen-3-olFL/FR
1,8-octane dithiolFL
1-octen-3-oneFL/FR
2-thienyl disulfideFL
estery
 octyl propionateFL/FR
fatty
 dimethyl sulfoxideFL
fermented
 methyl thio isovalerateFL
fruity
 dibenzyl etherFL/FR
2,4-hexadien-1-olFL
2-phenyl propionaldehyde dimethyl acetalFL/FR
green
(Z)-3-hexen-1-yl tiglateFL/FR
(Z)-leaf acetalFL/FR
 melon acetalFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
mushroom
3-octanoneFL/FR
3-octen-2-olFL/FR
(R)-1-octen-3-olFL/FR
1-octen-3-olFL/FR
1-octen-3-yl butyrateFL/FR
musty
3-octanolFL/FR
sulfurous
1-(methyl thio)-2-butanoneFL
2-naphthyl mercaptanFL
vegetable
2-octen-4-oneFL/FR
waxy
(E)-2-decenalFL/FR
 methyl laurateFL/FR
(Z)-3-nonen-1-olFL/FR
 octyl 2-furoateFL
 octyl acetateFL/FR
 
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Potential Uses:
 almondFR
 balsamFR
 cherryFR
 fungusFR
 gardeniaFR
 grapeFR
 melonFR
 peachFR
 roseFR
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Occurrence (nature, food, other): note
 cashew nut
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 chamomile
Search  PMC Picture
 clove plant
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Synonyms:
 benzyl 2-methyl crotonate
 benzyl 2-methyl-2-butenoate
 benzyl 2-methylbut-2-enoate
2-butenoic acid, 2-methyl-, phenylmethyl ester
2-methyl-2-butenoic acid phenyl methyl ester
 phenyl methyl 2-methyl-2-butenoate
 phenylmethyl 2-methylbut-2-enoate
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