guaiacyl butyrate
(2-methoxyphenyl) butanoate
Identification
| Name | guaiacyl butyrate |
| IUPAC | (2-methoxyphenyl) butanoate |
| CAS Number | 4112-92-9 |
| EINECS | 223-899-3 |
| FDA UNII | 48936E6FTM |
| Molecular Formula | C11 H14 O3 |
| Molecular Weight | 194.23018000 |
| Nikkaji Number | J155.579K |
| XlogP3 | 2.20 (est) |
Regulatory
| JECFA Food Flavoring | 2015 guaiacol butyrate |
| DG SANTE Food Flavourings | 09.944 guaiacol butyrate |
| FEMA Number | 4607 |
| 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, 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 Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| 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 |
| baked goods | 0.20000 |
| beverages(nonalcoholic) | 0.10000 |
| beverages(alcoholic) | 0.20000 |
| breakfast cereal | 0.20000 |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | 0.20000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.10000 |
| fruit ices | 0.10000 |
| gelatins / puddings | 0.20000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 0.20000 |
| imitation dairy | 0.20000 |
| instant coffee / tea | 0.40000 |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | 0.30000 |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | 0.20000 |
| soups | - |
| sugar substitutes | 0.10000 |
| 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 |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Chemical sources Association Inc
Exchange of knowledge
Need This Item for Flavor? You can contact the Chemical Sources Association.
Potential Uses
Natural Occurrence
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].