tiglyl alcohol
2-methylbut-2-en-1-ol
 
Notes:
Widespread nat. occurrence, e.g. in Ochromonas danica, in Anthemis nobilis (as acetate), in fruit juices and animal sources (unspecified stereochem.) Found in Roman chamomile ( Anthemis nobilis) (together with esters)
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CAS Number: 4675-87-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 225-127-0
FDA UNII: FF5W0ROP10
Nikkaji Web: J102.082J
CoE Number: 10258
XlogP3-AA: 1.00 (est)
Molecular Weight: 86.13390000
Formula: C5 H10 O
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: The chemical name should be changed to 2-methylbut-(2E)-en-1-ol and the CAS number to 497-02-9, according to the specifcations provided (Documentation provided to EFSA nr: 1) 90% (E)-isomer 5% (Z)-isomer
Category: flavoring agents and cosmetic fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring: 1617  2-methylbut-2-en-1-ol
DG SANTE Food Flavourings: 02.174  2-methylbut-2-en-1-ol
FEMA Number: 4178 2-methylbut-2-en-1-ol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):4675-87-0 ; 2-METHYLBUT-2-EN-1-OL
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.86300 to 0.86900 @  25.00 °C.
Pounds per Gallon - (est).: 7.181 to  7.231
Refractive Index: 1.43900 to 1.44500 @  20.00 °C.
Boiling Point: 137.00 °C. @ 760.00 mm Hg
Vapor Pressure: 2.384000 mmHg @ 25.00 °C. (est)
Flash Point: 122.00 °F. TCC ( 50.00 °C. )
logP (o/w): 1.055 (est)
Soluble in:
 alcohol
 water, 4.094e+004 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: green
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
 green  oily  
Odor Description:
at 10.00 % in dipropylene glycol. 
green oily
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Axsyn
For experimental / research use only.
(E)-2-methylbut-2-en-1-ol
Parchem
2-methyl-2-buten-1-ol
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
 
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: flavoring agents and cosmetic fragrance agents
Recommendation for tiglyl alcohol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): NA (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1700 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 22
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 10.0000050.00000
beverages(nonalcoholic): 5.0000025.00000
beverages(alcoholic): --
breakfast cereal: 5.0000025.00000
cheese: 7.0000035.00000
chewing gum: --
condiments / relishes: 5.0000025.00000
confectionery froastings: 10.0000050.00000
egg products: --
fats / oils: 5.0000025.00000
fish products: 2.0000010.00000
frozen dairy: 7.0000035.00000
fruit ices: 10.0000050.00000
gelatins / puddings: 5.0000025.00000
granulated sugar: --
gravies: 20.00000100.00000
hard candy: --
imitation dairy: 7.0000035.00000
instant coffee / tea: --
jams / jellies: 5.0000025.00000
meat products: 2.0000010.00000
milk products: 7.0000035.00000
nut products: --
other grains: 5.0000025.00000
poultry: 2.0000010.00000
processed fruits: 7.0000035.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 5.0000025.00000
snack foods: 10.0000050.00000
soft candy: --
soups: 5.0000025.00000
sugar substitutes: --
sweet sauces: 5.0000025.00000
 
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): 5.0300011.86000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.500004.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.75000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 4.780005.00000
Confectionery (05.0): 5.0000014.22000
Chewing gum (05.0): 2.200009.56000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 3.7900011.40000
Bakery wares (07.0): 6.2000017.17000
Meat and meat products, including poultry and game (08.0): 0.790003.50000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.500001.75000
Eggs and egg products (10.0): 0.010003.00000
Sweeteners, including honey (11.0): 0.510004.38000
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 1.750005.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.010005.01000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.000004.43000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000002.00000
Ready-to-eat savouries (15.0): 2.000003.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.500000.50000
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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):
Flavouring Group Evaluation 201: 2-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.2 of FGE.19[1]
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 201 Revision 1 (FGE.201Rev1): 2-Alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19.
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 201 Revision 2 (FGE.201Rev2): 2-alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 72, Revision 2 (FGE.72Rev2): consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (61st, 68th and 69th meetings) and structurally related to flavouring substances in FGE.05Rev3
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 4675-87-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6433417
National Institute of Allergy and Infectious Diseases: Data
 2-methylbut-2-en-1-ol
Chemidplus: 0004675870
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References:
 2-methylbut-2-en-1-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6433417
Pubchem (sid): 134984507
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
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB34465
FooDB: FDB012875
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
citrus
 valenceneFL/FR
coconut
delta-heptalactoneFL/FR
earthy
1-octen-3-olFL/FR
floral
 gardenia pentyl acetateFR
(Z)-methyl epi-jasmonateFL/FR
 methyl jasmonateFL/FR
fruity
 nerolidyl isobutyrateFR
 octyl butyrateFL/FR
isopropyl 2-methyl butyrateFL/FR
green
 bark carbaldehydeFR
 coriander heptenolFL/FR
1-hepten-3-olFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
 hexyl tiglateFL/FR
 privet dioxaneFR
 violet decenolFR
 violet leaf absoluteFL/FR
herbal
(E)-6-methyl-3-hepten-2-oneFL/FR
waxy
 heptyl octanoateFL/FR
 
For Flavor
 
No flavor group found for these
 coriander heptenolFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
citrus
 valenceneFL/FR
fatty
(E,E)-2,4-heptadienalFL
floral
(Z)-methyl epi-jasmonateFL/FR
 methyl jasmonateFL/FR
fruity
isopropyl 2-methyl butyrateFL/FR
green
1-hepten-3-olFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
 hexyl tiglateFL/FR
 sorbyl acetateFL
 violet leaf absoluteFL/FR
lactonic
delta-heptalactoneFL/FR
mushroom
1-octen-3-olFL/FR
waxy
 heptyl octanoateFL/FR
 octyl butyrateFL/FR
 
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Potential Uses:
 algaeFR
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Occurrence (nature, food, other): note
 chamomile roman chamomile
Search Trop  Picture
 coffee
Search  PMC Picture
 ham cured ham
Search  PMC Picture
 narcissus absolute @ 0.09%
Data  GC  Search Trop  Picture
 quince fruit
Search Trop  Picture
 rhodiola crenulata
Search Trop  Picture
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Synonyms:
2-methyl but-2-en-1-ol
2-methyl-2-buten-1-ol
2-methyl-2-butenol
2-methylbut-2-en-1-ol
 tiglic alcohol
 tiglyl alcohol
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