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

guaiacyl butyrate
(2-methoxyphenyl) butanoate

Supplier Sponsors

CAS Number: 4112-92-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:223-899-3
FDA UNII:48936E6FTM
Nikkaji Web:J155.579K
XlogP3:2.20 (est)
Molecular Weight:194.23018000
Formula:C11 H14 O3
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
JECFA Food Flavoring:2015 guaiacol butyrate
DG SANTE Food Flavourings:09.944 guaiacol butyrate
FEMA Number:4607 guaiacol butyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):4112-92-9 ; GUAIACOL BUTYRATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.06440 to 1.07440 @ 25.00 °C.
Pounds per Gallon - (est).: 8.857 to 8.940
Refractive Index:1.52200 to 1.53200 @ 20.00 °C.
Boiling Point: 246.00 to 248.00 °C. @ 760.00 mm Hg
Boiling Point: 96.00 to 97.00 °C. @ 2.00 mm Hg
Vapor Pressure:0.026000 mmHg @ 25.00 °C. (est)
Flash Point: 206.00 °F. TCC ( 96.67 °C. )
logP (o/w): 2.765 (est)
Soluble in:
 alcohol
 water, 253.9 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Methoxyphenyl butyrate
Parchem
guaiacyl butyrate
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): 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
Chewing gum (05.3): --
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
 
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 Substance Registry Services (TSCA):4112-92-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :77756
National Institute of Allergy and Infectious Diseases:Data
(2-methoxyphenyl) butanoate
Chemidplus:0004112929
 
References:
 (2-methoxyphenyl) butanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):77756
Pubchem (sid):135034729
 
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):Search
ChemSpider:View
FAO:Guaiacol butyrate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butanoic acid 2-methoxyphenyl ester
 butanoic acid, 2-methoxyphenyl ester
 butanoic acid,2-methoxyphenyl ester
 butyric acid o-methoxyphenyl ester
 butyric acid ortho-methoxyphenyl ester
 guaiacol butyrate
2-methoxyphenyl butanoate
2-methoxyphenyl butyrate
(2-methoxyphenyl) butanoate
(2-methoxyphenyl)butanoate
 

Articles:

PubMed:In vitro degradation of lysine by ruminal fluid-based fermentations and by Fusobacterium necrophorum.
PubMed:A phenolic derivative and two diacetylenes from Symphyotrichum subulatum.
PubMed:5-HT7 receptors modulate GABAergic transmission in rat hippocampal CA1 area.
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:[IGOST guideline for pharmacotherapy of low back pain].
PubMed:Metabotropic glutamate receptor 4 novel agonist LSP1-2111 with anxiolytic, but not antidepressant-like activity, mediated by serotonergic and GABAergic systems.
PubMed:Fate of key odorants in Sauternes wines through aging.
PubMed:The group III mGlu receptor agonist ACPT-I exerts anxiolytic-like but not antidepressant-like effects, mediated by the serotonergic and GABA-ergic systems.
PubMed:Metabolic effects of glyphosate change the capacity of maize culture to regenerate plants.
PubMed:Toxicity and removal efficiency of pharmaceutical metabolite clofibric acid by Typha spp.--potential use for phytoremediation?
PubMed:Serotonin activates presynaptic and postsynaptic receptors in rat globus pallidus.
PubMed:Serotonergic modulation of GABAergic and glutamatergic synaptic transmission in mechanically isolated rat medial preoptic area neurons.
PubMed:Aroma extraction dilution analysis of Sauternes wines. Key role of polyfunctional thiols.
PubMed:Effect of essential oil active compounds on rumen microbial fermentation and nutrient flow in in vitro systems.
PubMed:Use of ozone and/or UV in the treatment of effluents from board paper industry.
PubMed:Perceptual interactions in odour mixtures: odour quality in binary mixtures of woody and fruity wine odorants.
PubMed:Effects of coffee components on the response of GABA(A) receptors expressed in Xenopus oocytes.
PubMed:Identification of aroma active compounds in orange essence oil using gas chromatography-olfactometry and gas chromatography-mass spectrometry.
PubMed:Mechanisms of nicotine actions on dorsal raphe serotoninergic neurons.
PubMed:Presynaptic modulation of synaptic gamma-aminobutyric acid transmission by tandospirone in rat basolateral amygdala.
PubMed:Pre- and postsynaptic effects of eugenol and related compounds on Helix pomatia L. neurons.
PubMed:Anticonvulsant properties of two GABA uptake inhibitors NNC 05-2045 and NNC 05-2090, not acting preferentially on GAT-1.
PubMed:Antinociceptive profile of 3-alpha-tropanyl 2-(4-Cl-phenoxy)butyrate (SM-21) [corrected]: a novel analgesic with a presynaptic cholinergic mechanism of action.
PubMed:1-(3-(9H-carbazol-9-yl)-1-propyl)-4-(2-methoxyphenyl)-4-piperidinol, a novel subtype selective inhibitor of the mouse type II GABA-transporter.
PubMed:Imipramine increases the 5-HT1A receptor-mediated inhibition of hippocampal neurons without changing the 5-HT1A receptor binding.
PubMed:2-Amino-7-phosphonoheptanoic acid (AP7) produces discriminative stimuli and anticonflict effects similar to diazepam.
PubMed:Self-stimulation response decrement patterns differentiate clonidine, baclofen and dopamine antagonists from drugs causing performance deficit.
PubMed:Functional properties of the olfactory system: psychophysics. Dimensional salience of odors.
PubMed:THE EFFECT OF CHLORPROMAZINE, PROMETHAZINE, AND DIPHENHYDRAMINE ON SWELLING OF ISOLATED LIVER MITOCHONDRIA.
PubMed:HYDROLYSIS OF AROMATIC ESTERS BY HUMAN DUODENAL CONTENTS.
PubMed:[ESTEROLYTIC EFFECT OF THE DUODENAL FLUID ON AROMATIC ESTERS].
 
Notes:
None found
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