5-hydroxy-2,3-dimethyl-1,4-naphthoquinone
natural substances and extractives
| 2D: |
 |
| 3D: |
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| CAS Number: |
80596-51-6
|
| FDA UNII: |
Search |
| Category: |
natural substances and extractives |
| IUPAC Name: |
5-hydroxy-2,3-dimethyl-1,4-naphthoquinone |
| InChI : |
InChI=1/C12H10O3/c1-6-7(2)12(15)10-8(11(6)14)4-3-5-9(10)13/h3-5,13H,1-2H3 |
| Std.InChI: |
InChI=1S/C12H10O3/c1-6-7(2)12(15)10-8(11(6)14)4-3-5-9(10)13/h3-5,13H,1-2H3 |
| InChIKey : |
WBPHCLSNRLPSPK-UHFFFAOYAE |
| Std.InChIKey: |
WBPHCLSNRLPSPK-UHFFFAOYSA-N |
| SMILES : |
CC1=C(C(=O)C2=C(C1=O)C=CC=C2O)C |
| Molar Refractivity : |
54.19 ± 0.3 cm3 (est) |
| Parachor : |
418.4 ± 6.0 cm3 (est) |
| Index of Refraction : |
1.606 ± 0.02
(est) |
| Surface Tension : |
50.5 ± 3.0 dyne/cm (est) |
| Density : |
1.288 ± 0.06 g/cm3 (est) |
| Polarizability : |
21.48 ± 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 |
| Soluble in: |
| | water, 401 mg/L @ 25 °C (est) |
Safety Information:
| |
| 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 | |
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| 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 5-hydroxy-2,3-dimethyl-1,4-naphthoquinone usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for 5-hydroxy-2,3-dimethyl-1,4-naphthoquinone flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| 2,3- | dimethyl plumbagin |
| 2,3- | dimethylplumbagin |
| 5- | hydroxy-2,3-dimethylnaphthalene-1,4-dione |
| 3- | methyl plumbagin |
| 3- | methylplumbagin |
