guaiacyl propionate
2-methoxyphenyl propionate
 
Notes:
None found
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(2-methoxyphenyl) propanoate (Click)
CAS Number: 7598-60-9Picture of molecule
FDA UNII: Z7SCO70Q61
Nikkaji Web: J155.576F
XlogP3: 1.90 (est)
Molecular Weight: 180.20324000
Formula: C10 H12 O3
BioActivity Summary: listing
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
IBM Patents: Obtain
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Pubchem Patents: Search
JECFA Food Flavoring: 2017  guaiacol propionate
Flavis Number: 09.943 (Old)
DG SANTE Food Flavourings: 09.943  guaiacol propionate
FEMA Number: 4609  guaiacol propionate
FDA Mainterm: GUAIACOL PROPIONATE
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 99.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.09260 to 1.10260 @  25.00 °C.
Pounds per Gallon - (est).: 9.092 to  9.175
Refractive Index: 1.52760 to 1.53760 @  20.00 °C.
Boiling Point: 227.00 to  229.00 °C. @ 760.00 mm Hg
Boiling Point: 117.00 to  119.00 °C. @ 8.00 mm Hg
Vapor Pressure: 0.076000 mm/Hg @ 25.00 °C. (est)
Flash Point: 190.00 °F. TCC ( 87.78 °C. )
logP (o/w): 2.255 (est)
Soluble in:
 water, 782.9 mg/L @ 25 °C (est)
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allyl propionate
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isobornyl propionate
butyl propionate
isobutyl propionate
tert-butyl propionate
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(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
hexyl propionate
linalyl propionate
maltyl propionate
menthyl propionate
laevo-menthyl propionate
2-methyl butyl propionate
methyl propionate
nerolidyl propionate
neryl propionate
nonisyl propionate
nonyl propionate
(Z)-3-octen-1-yl propionate
(Z)-5-octen-1-yl propionate
octyl propionate
phenethyl propionate
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Organoleptic Properties:
Odor Type: fruity
 fruity  nutty  vanilla  
Odor Description:
fruity nutty vanilla
  
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
(2-methoxyphenyl) propanoate
Parchem
guaiacyl propionate
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: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 43.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 74 (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: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: 0.200005.00000
beverages(nonalcoholic): 0.100005.00000
beverages(alcoholic): 0.200005.00000
breakfast cereal: 0.200005.00000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: 0.200005.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.100005.00000
fruit ices: 0.100005.00000
gelatins / puddings: 0.200005.00000
granulated sugar: --
gravies: --
hard candy: 0.200005.00000
imitation dairy: 0.200005.00000
instant coffee / tea: 0.4000010.00000
jams / jellies: --
meat products: --
milk products: --
nut products: 0.3000010.00000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 0.200005.00000
soups: --
sugar substitutes: 0.100005.00000
sweet sauces: --
 
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): 0.100005.00000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.200005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200005.00000
Bakery wares (07.0): 0.200005.00000
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): 0.100005.00000
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): --
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.100005.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.200005.00000
Ready-to-eat savouries (15.0): 0.3000010.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200005.00000
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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):
Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 348502
National Institute of Allergy and Infectious Diseases: Data
 (2-methoxyphenyl) propanoate
Chemidplus: 0007598609
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References:
 (2-methoxyphenyl) propanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 348502
Pubchem (sid): 477514
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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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): Search
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
FAO: Guaiacol propionate
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 guaiacol propionate
2-methoxyphenyl propanoate
2-methoxyphenyl propionate
(2-methoxyphenyl) propanoate
 propionic acid o-methoxyphenyl propionate
 propionic acid ortho-methoxyphenyl propionate
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Articles:
PubMed: In vitro degradation of lysine by ruminal fluid-based fermentations and by Fusobacterium necrophorum.
PubMed: Quizalofop-p-ethyl-induced phytotoxicity and genotoxicity in Lemna minor and Lemna gibba.
PubMed: Ancient wood of the Acqualadrone rostrum: materials history through gas chromatography/mass spectrometry and sulfur X-ray absorption spectroscopy.
PubMed: Characterization of odor-active compounds of various cherry wines by gas chromatography-mass spectrometry, gas chromatography-olfactometry and their correlation with sensory attributes.
PubMed: Precise design of artificial cofactors for enhancing peroxidase activity of myoglobin: myoglobin mutant H64D reconstituted with a "single-winged cofactor" is equivalent to native horseradish peroxidase in oxidation activity.
PubMed: Dexmedetomidine induces both relaxations and contractions, via different {alpha}2-adrenoceptor subtypes, in the isolated mesenteric artery and aorta of the rat.
PubMed: Mathematical modeling of monolignol biosynthesis in Populus xylem.
PubMed: Effects of 3-(4'-geranyloxy-3'-methoxyphenyl)-2-trans propenoic acid and its ester derivatives on biofilm formation by two oral pathogens, Porphyromonas gingivalis and Streptococcus mutans.
PubMed: Synthesis and anti-inflammatory activity of 3-(4'-geranyloxy-3'-methoxyphenyl)-2-trans propenoic acid and its ester derivatives.
PubMed: Rational design of MOFs constructed from modified aromatic amino acids.
PubMed: Effect of essential oil active compounds on rumen microbial fermentation and nutrient flow in in vitro systems.
PubMed: Hybridization of modified-heme reconstitution and distal histidine mutation to functionalize sperm whale myoglobin.
PubMed: The [(99m)Tc(N)(PNP)](2+) metal fragment: a technetium-nitrido synthon for use with biologically active molecules. The N-(2-methoxyphenyl)piperazyl-cysteine analogues as examples.
PubMed: Identification of two electron-transfer sites in ascorbate peroxidase using chemical modification, enzyme kinetics, and crystallography.
PubMed: Investigations of non-NMDA receptor-induced toxicity in serum-free antioxidant-rich primary cultures of murine cerebellar granule cells.
PubMed: Haem propionates control oxidative and reductive activities of horseradish peroxidase by maintaining the correct orientation of the haem.
PubMed: Antinociceptive and antiamnesic properties of the presynaptic cholinergic amplifier PG-9.
PubMed: Serotonin 5-HT1D and 5-HT1A receptors respectively mediate inhibition of glutamate release and inhibition of cyclic GMP production in rat cerebellum in vitro.
PubMed: Conjugated compounds in cow's milk. II.
PubMed: Sore throat therapy.
PubMed: CHROMATOGRAPHIC SEPARATION OF PHENOLS ON ION-EXCHANGE PAPER.
PubMed: A REVIEW OF PHARMACOLOGIC AGENTS USED IN A PHYSICAL MEDICINE AND REHABILITATION SETTING.
PubMed: NEWER DRUGS IN THE TREATMENT OF HEADACHE.
PubMed: HYDROLYSIS OF AROMATIC ESTERS BY HUMAN DUODENAL CONTENTS.
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