Identification

Nameguaiacyl butyrate
IUPAC(2-methoxyphenyl) butanoate
CAS Number4112-92-9
EINECS223-899-3
FDA UNII48936E6FTM
Molecular FormulaC11 H14 O3
Molecular Weight194.23018000
Nikkaji NumberJ155.579K
XlogP32.20 (est)

Regulatory

JECFA Food Flavoring2015 guaiacol butyrate
DG SANTE Food Flavourings09.944 guaiacol butyrate
FEMA Number4607
FDANo 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, 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

No sensory data available

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
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 Concern1800 (μg/person/day)
Structure ClassI
baked goods0.20000
beverages(nonalcoholic)0.10000
beverages(alcoholic)0.20000
breakfast cereal0.20000
cheese-
chewing gum-
condiments / relishes-
confectionery froastings0.20000
egg products-
fats / oils-
fish products-
frozen dairy0.10000
fruit ices0.10000
gelatins / puddings0.20000
granulated sugar-
gravies-
hard candy0.20000
imitation dairy0.20000
instant coffee / tea0.40000
jams / jellies-
meat products-
milk products-
nut products0.30000
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy0.20000
soups-
sugar substitutes0.10000
sweet sauces-
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)0.10000
Processed fruit (04.1)-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)0.20000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)0.20000
Bakery wares (07.0)0.20000
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)0.10000
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)0.10000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)0.20000
Ready-to-eat savouries (15.0)0.30000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)0.20000

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Potential Uses

None Found

Natural Occurrence

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 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].