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isoeugenyl isovalerate
2-methoxy-4-[(1E)-prop-1-en-1-yl]phenyl 3-methylbutanoate

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Name:[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
CAS Number: 60958-23-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:262-537-9
Nikkaji Web:J268.361J
XlogP3-AA:3.90 (est)
Molecular Weight:248.32200000
Formula:C15 H20 O3
NMR Predictor:Predict (works with chrome or firefox)
Name:[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
CAS Number: 61114-23-6Picture of molecule3D/inchi
Nikkaji Web:J268.361J
XlogP3-AA:3.90 (est)
Molecular Weight:248.32200000
Formula:C15 H20 O3
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
CASrn 61114-23-6 to be introduced in the Register (EFFA, 2004ae). The CASrn does not specify isomer. Mixture of E & Z isomers (EFFA, 2010a). Composition of mixture to be specified.
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
DG SANTE Food Flavourings:09.894 2-methoxy-4-(prop-1-enyl) phenyl 3-methylbutyrate
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 327.00 to 328.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000205 mmHg @ 25.00 °C. (est)
Flash Point: 274.00 °F. TCC ( 134.44 °C. )
logP (o/w): 3.955 (est)
Soluble in:
 alcohol
 water, 4.349 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
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): 0.012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 2300 (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): --
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):

Flavouring Group Evaluation 30 (FGE.30): 2-Methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 81 (FGE.81): Consideration of hydroxypropenylbenzenes evaluated by JECFA (61st meeting) structurally related to 2-methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17 evaluated by EFSA in FGE.30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 30, Revision 1 (FGE.30Rev1): 4-Prop-1-enylphenol and 2-methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6428969
National Institute of Allergy and Infectious Diseases:Data
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
Chemidplus:0060958238
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
Chemidplus:0061114236
 
References:
 [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6428969
Pubchem (sid):135211590
Pherobase:View
 [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6428969
Pubchem (sid):759630
 
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):Search
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 anise seed
Search Trop Picture
 valerian rhizome oil @ 0.1-1.1%
Data GC Search Trop Picture
 
Synonyms:
 butanoic acid, 3-methyl-, 2-methoxy-4-[(1E)-1-propen-1-yl]phenyl ester
isoeugenyl isopentanoate
(E)-2-methoxy-4-(1-propenyl) phenyl isovalerate
(E)-2-methoxy-4-(1-propenyl)phenyl isovalerate
2-methoxy-4-(prop-1-enyl) phenyl 3-methyl butyrate
2-methoxy-4-(prop-1-enyl) phenyl 3-methylbutyrate
2-methoxy-4-[(1E)-prop-1-en-1-yl]phenyl 3-methylbutanoate
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
 

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Notes:
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