methyl 2,6-dihydroxy-4-methyl benzoate
natural substances and extractives
| 2D: |
 |
| 3D: |
|
| CAS Number: |
16846-10-9
|
| ECHA EC Number: |
240-870-0 |
| FDA UNII: |
Search |
| Category: |
natural substances and extractives |
| IUPAC Name: |
methyl 2,6-dihydroxy-4-methyl benzoate |
| InChI : |
InChI=1/C9H10O4/c1-5-3-6(10)8(7(11)4-5)9(12)13-2/h3-4,10-11H,1-2H3 |
| Std.InChI: |
InChI=1S/C9H10O4/c1-5-3-6(10)8(7(11)4-5)9(12)13-2/h3-4,10-11H,1-2H3 |
| InChIKey : |
RIJMQNGJNNAAQK-UHFFFAOYAH |
| Std.InChIKey: |
RIJMQNGJNNAAQK-UHFFFAOYSA-N |
| SMILES : |
Cc1cc(c(c(c1)O)C(=O)OC)O |
| MDL: |
MFCD00012063 |
| Molar Refractivity : |
46.61 ± 0.3 cm3 (est) |
| Parachor : |
379.7 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.578 ± 0.02
(est) |
| Surface Tension : |
53.4 ± 3.0 dyne/cm (est) |
| Density : |
1.296 ± 0.06 g/cm3 (est) |
| Polarizability : |
18.47 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 277.70 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 227.00 °F. TCC ( 108.50 °C. ) (est) |
| logP (o/w): | 2.750 (est) |
| Soluble in: |
| | water, 1070 mg/L @ 25 °C (est) |
Safety Information:
| 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: |
| Not determined |
| Dermal Toxicity: |
| Not determined |
| Inhalation Toxicity: |
| Not determined |
Safety in Use Information:
| Category: |
| natural substances and extractives |
| Recommendation for methyl 2,6-dihydroxy-4-methyl benzoate usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for methyl 2,6-dihydroxy-4-methyl benzoate flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| | benzoic acid, 2,6-dihydroxy-4-methyl-, methyl ester |
| | methyl 2,6-dihydroxy-4-methylbenzoate |
| | methyl 2,6-dihydroxy-p-toluate |
| | methyl alpha-orcinolcarboxylate |
| p- | orsellinic acid, methyl ester |
