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| IUPAC name : | (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide |
| InChI : | InChI=1/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+ |
| InChIKey : | YKPUWZUDDOIDPM-SOFGYWHQBQ |
| SMILES : | CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| cas number : | 404-86-4 |
| (EINECS) number : | 206-969-8 |
| beilstein number : | 2816484 |
| fema number : | 3404 |
| coe number : | 2299 |
| molar refractivity : | 89.69 ± 0.3 cm3 |
| parachor : | 731.2 ± 4.0 cm3 |
| index of refraction : | 1.523 ± 0.02 |
| surface tension : | 38.7 ± 3.0 dyne/cm |
| density : | 1.041 ± 0.06 g/cm3 |
| polarizability : | 35.55 ± 0.5 10-24cm3 |
| XlogP : | 4.60 |
| XlogP3-AA : | 3.60 |
| molecular weight : | 305.4118800 (IUPAC) |
| formula : | C18 H27 N O3 |
| BioActivity Analysis : | 48413373 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Fontarome : | CAPSAICIN
94% non-GMP Odor: Mild, warm-herbaceous |
| Fontarome : | CAPSAICIN
99% GMP Odor: Mild, warm-herbaceous |
| Kalsec : | capsaicin
Odor: bland Capsaicin and oleoresin capsicum are popularly used ingredients in both "over-the-counter" and prescription topical analgesics. Used as a counter-irritant, capsaicin is believed to have a desensitizing effect on nerves, thus providing substantial relief from the pain associated with osteoarthritis, rheumatoid arthritis, herpes zoster, and diabetic neuropathy. Kalsec® Capsicum and Capsaicin Concentrates are natural, highly purified, and highly concentrated extractives of Capsicum frutescens L. and/or Capsicum annuum L. (chili peppers). The extractives contain at least five pungent compounds known as capsaicinoids. Three Major Capsaicinoids, capsaicin, dihydrocapsaicin, and nordihydrocapsaicin, predominate. |
| Nanjing : | (E)-Capsaicin; (E)-N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-non enamide
orders in chinese. |
| Pfaltz & Bauer : | Capsaicin
Natural 65% |
| Sigma-Aldrich-Aldrich : | Capsaicin
natural If you get a cover box over Sigma-aldrich web page, click here to set your country of origin. |
| Sigma-Aldrich-Fluka : | Capsaicin
puriss., ≥99.0% (HPLC) If you get a cover box over Sigma-aldrich web page, click here to set your country of origin. |
| Sigma-Aldrich-Sigma : | Capsaicin
≥95%, from Capsicum sp. If you get a cover box over Sigma-aldrich web page, click here to set your country of origin. |
| TCI AMERICA : | Capsaicin
>60.0%(LC), (Natural) |
| Xi'an Honson : | Capsaicin
99% |
organoleptics :
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| odor type : | herbal |
| odor strength : | medium |
odor description: at 100.00 %. | mild warm herbal |
properties :
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| appearence : | white to pale yellow crystalline powder |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 62.00 to 65.00 °C. @ 760.00 mm Hg
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| boiling point : | 210.00 to 220.00 °C. @ 0.01 mm Hg
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| flash point : | 505.00 °F. TCC ( 262.78 °C. )
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| logP (o/w) : | 4.00 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
| storage : | refrigerate in tightly sealed containers. |
safety :
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| most important hazard(s) : | T - Toxic. |
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R 25 - Toxic if swallowed. R 37/38 - Irritating to respiratory system and skin. R 41 - Risk of serious damage to eyes. R 42/43 - May cause sensitization by inhalation and skin contact. S 02 - Keep out of the reach of children. S 22 - Do not breath dust. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately.
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| Oral Toxicity(LD50) : | |
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Oral-Mouse 47.20 mg/kg Yakhak Hoe Chi. Journal of the Pharmaceutical Society. Vol. 25(3), Pg. 101, 1981.
Intraperitoneal-Rat 9.50 mg/kg Toxicon. Vol. 18, Pg. 215, 1980.
Intraperitoneal-Rabbit >50.00 mg/kg Toxicon. Vol. 18, Pg. 215, 1980.
intravenous-Mouse 0.40 mg/kg Yakhak Hoe Chi. Journal of the Pharmaceutical Society. Vol. 25(3), Pg. 101, 1981.
Intraperitoneal-Mouse 6.50 mg/kg Toxicon. Vol. 18, Pg. 215, 1980.
Intraperitoneal-Hamster >120.00 mg/kg Toxicon. Vol. 18, Pg. 215, 1980.
Intraperitoneal-Guineapig 1.10 mg/kg Toxicon. Vol. 18, Pg. 215, 1980.
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| Dermal Toxicity(LD50) : | |
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Skin-Mouse >512.00 mg/kg Toxicon. Vol. 18, Pg. 215, 1980.
Subcutaneous-Mouse 9.00 mg/kg Toxicon. Vol. 18, Pg. 215, 1980.
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavoring agents |
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| recommendation for capsaicin fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for capsaicin flavor usage levels up to : |
| | 10.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| ClinicalTrials.gov : | search |
| Daily Med : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Carcinogenic Potency Database : | Search |
| EPA GENetic TOXicology : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 2811 |
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| WGK Germany : | 3 |
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| | (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide |
| (EINECS) number : | 206-969-8 |
| RTECS : | RA8530000 for cas# 404-86-4 |
| chemidplus : | 000404864 |
| EPA Substance Registry Services : | 404-86-4 |
| dtp/nci : | 56353 |
references :
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| | (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide |
| NIST Chemistry WebBook : | 3488585319 |
| pubchem : | 153053 |
Cosmetics :
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| Cosmetic uses : |
masking agents
skin conditioning
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |
| FDA Listing of Food Additive Status Part I (A through G | View |
| FDA Listing of Food Additive Status Part II (H through Z | View |
| Household Products : | Search |