| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 645-08-9 |
| ECHA EC Number: | 211-430-5 |
| FDA UNII: | A8D1DUX2PR |
| Category: | natural substances and extractives |
| IUPAC Name: | isovanillic acid |
| InChI : | InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11) |
| Std.InChI: | InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11) |
| InChIKey : | LBKFGYZQBSGRHY-UHFFFAOYAM |
| Std.InChIKey: | LBKFGYZQBSGRHY-UHFFFAOYSA-N |
| SMILES : | COC1=C(C=C(C=C1)C(=O)O)O |
| MDL: | MFCD00002507 |
| Molar Refractivity : | 41.74 ± 0.3 cm3 (est) |
| Parachor : | 341.0 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.585 ± 0.02 (est) |
| Surface Tension : | 56.5 ± 3.0 dyne/cm (est) |
| Density : | 1.351 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.54 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 344.30 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 293.00 °F. TCC ( 145.20 °C. ) (est) |
| logP (o/w): | 1.350 (est) |
| Soluble in: | |
| water, 5708 mg/L @ 25 °C (est) | |
| None found |
| Alfa Biotechnology |
| For experimental / research use only. |
| Isovanillic Acid 98% |
| BOC Sciences |
| For experimental / research use only. |
| Diosmin Impurity 1 > 95% Odor: characteristic Use: Diosmin Impurity, used in the synthesis of opiate alkaloid precursor, dihydrothebainone. |
| Coompo |
| For experimental / research use only. |
| isoVanillic Acid from Plants ≥98% |
| Matrix Scientific |
| For experimental / research use only. |
| 3-Hydroxy-4-methoxybenzoic acid |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| isoVanillic Acid |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| isoVanillic Acid 97% |
| TCI AMERICA |
| For experimental / research use only. |
| isoVanillic Acid >98.0%(T) |
| Preferred SDS: View | |
| 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: | |
| intraperitoneal-rat LD50 2974 mg/kg Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 243, Pg. 609, 1956. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| natural substances and extractives | |||
| Recommendation for isovanillic acid usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for isovanillic acid flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :12575 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 3-hydroxy-4-methoxybenzoic acid |
| Chemidplus:0000645089 |
| RTECS:BZ4850000 for cas# 645-08-9 |
| 3-hydroxy-4-methoxybenzoic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 12575 |
| Pubchem (sid): | 134976779 |
| (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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB60003 |
| Export Tariff Code: | 2918.99.4700 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| None Found |
| None Found |
| found in nature |
| p- | anisic acid, 3-hydroxy- |
| benzoic acid, 3-hydroxy-4-methoxy- | |
| 3- | hydroxy-4-methoxy benzoic acid |
| 3- | hydroxy-4-methoxybenzoic acid |
| 3- | hydroxy-4-methoxybenzoicacid |
| 3- | hydroxy-p-anisic acid |
| 3- | hydroxyanisic acid |
