AKOS BBS-00003785
4-Hydroxy-3-methoxybenzoic acid
CAS: 121-34-6
Molecular Formula: C8H8O4
AKOS BBS-00003785 - Names and Identifiers
| Name | 4-Hydroxy-3-methoxybenzoic acid |
| Synonyms | FEMA 3988 Vanilic acid Vanillic acid VANILLIC ACID VENILLIC ACID AKOS BBS-00003785 TIMTEC-BB SBB008280 RARECHEM AL BO 0061 4-hydroxy-3-methoxybenzoate 4-HYDROXY-3-METHOXYBENZOIC ACID 4-Hydroxy-3-methoxybenzoic acid PROTOCATECHUIC ACID 3-METHYL ETHER |
| CAS | 121-34-6 |
| EINECS | 204-466-8 |
| InChI | InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1 |
| InChIKey | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
AKOS BBS-00003785 - Physico-chemical Properties
| Molecular Formula | C8H8O4 |
| Molar Mass | 168.15 |
| Density | 1.3037 (rough estimate) |
| Melting Point | 208-210°C(lit.) |
| Boling Point | 257.07°C (rough estimate) |
| Flash Point | 149.4°C |
| JECFA Number | 959 |
| Water Solubility | Soluble in water, alcohol and ether. |
| Solubility | Soluble in ethanol, soluble in ether, slightly soluble in water. |
| Vapor Presure | 1.32E-05mmHg at 25°C |
| Appearance | Crystalline powder |
| Color | Clear colorless to brown, may darken during storage |
| Merck | 14,9931 |
| BRN | 2208364 |
| pKa | pKa 4.53(H2Ot = 25c = 0.016–0.001) (Uncertain) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Refractive Index | 1.5090 (estimate) |
| MDL | MFCD00002551 |
| Physical and Chemical Properties | Pentanoic acid is a colorless liquid with a spoilage odor, B. p.186.2 ℃,n20D 1.4100, relative density 0.939, dissolved in 20 ℃ water 13%, soluble in ethanol and ether and other organic solvents. |
AKOS BBS-00003785 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 1 |
| RTECS | YW5300000 |
| TSCA | Yes |
| HS Code | 29189090 |
| Hazard Note | Irritant |
AKOS BBS-00003785 - Reference
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[IF=5.396] Ruihong Dong et al."Release and metabolism of bound polyphenols from carrot dietary fiber and their potential activity in in vitro digestion and colonic fermentation."Food Funct. 2020 Jul;11(7):6652-6665 53. [IF=4.952] Yuan Yuan et al."Diversity of phenolics including hydroxycinnamic acid amide derivatives, phenolic acids contribute to antioxidant properties of proso millet."Lwt Food Sci Technol. 2022 Jan;154:112611 54. [IF=4.952] Dongxiao Su et al."Impact of thermal processing and storage temperature on the phenolic profile and antioxidant activity of different varieties of lychee juice."Lwt Food Sci Technol. 2019 Dec;116:108578 55. [IF=4.952] Yuxin Hao et al."Stability and mechanism of phenolic compounds from raspberry extract under in vitro gastrointestinal digestion."Lwt Food Sci Technol. 2021 Mar;139:110552 56. [IF=4.879] Yang Liu et al."UV-B Radiation Largely Promoted the Transformation of Primary Metabolites to Phenols in Astragalus mongholicus Seedlings."Biomolecules. 2020 Apr;10(4):504 57. [IF=4.556] Dandan Zhao et al."Physico-chemical properties and free amino acids profiles of six wolfberry cultivars in Zhongning."J Food Compos Anal. 2020 May;88:103460 58. [IF=4.411] Liqing Yin et al."Neuroprotective Potency of Tofu Bio-Processed Using Actinomucor elegans against Hypoxic Injury Induced by Cobalt Chloride in PC12 Cells."Molecules. 2021 Jan;26(10):2983 59. [IF=4.411] Fang Sheng et al."The Analysis of Phenolic Compounds in Walnut Husk and Pellicle by UPLC-Q-Orbitrap HRMS and HPLC."Molecules. 2021 Jan;26(10):3013 60. [IF=4.35] Qian Ge et al."Effects of Simultaneous Co-Fermentation of Five Indigenous Non-Saccharomyces Strains with S. cerevisiae on Vidal Icewine Aroma Quality."Foods. 2021 Jul;10(7):1452 61. 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AKOS BBS-00003785 - Reference Information
| FEMA | 3988 | 4-HYDROXY-3-METHOXYBENZOIC ACID |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | valeric acid is the raw material for preparing the fungicide hexaconazole. It has anti-bacterial and fungal effects. Organic synthesis. To make spices. Synthesis of a variety of bio-based epoxy resins and polyester precursors. |
| Production method | The preparation method can be prepared by electrolytic oxidation with 1-pentanol or reaction with formic acid and butene. Reaction equation: CH3(CH2)3CH2OH [electrolysis] →[O2]CH3(CH2)3COOHCH3CH2CH = CH2 HCOOH → CH3(CH2)3COOH The reaction of valeric acid and thionyl chloride or phosphorus trichloride yields the corresponding valeryl chloride. CH3(CH2)3COOH SOCl2→CH3(CH2)3COCl SO2↑ HCl↑ |
Last Update：2024-04-09 15:16:47
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