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| IUPAC name : | (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid |
| InChI : | InChI=1/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1 |
| InChIKey : | RSWGJHLUYNHPMX-UHFFFAOYAL |
| SMILES : | CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C |
| cas number : | 514-10-3 |
| (EINECS) number : | 208-178-3 |
| beilstein number : | 2221451 |
| molar refractivity : | 89.48 ± 0.4 cm3 |
| parachor : | 719.0 ± 6.0 cm3 |
| index of refraction : | 1.541 ± 0.03 |
| surface tension : | 40.7 ± 5.0 dyne/cm |
| density : | 1.06 ± 0.1 g/cm3 |
| polarizability : | 35.47 ± 0.5 10-24cm3 |
| XlogP : | 4.40 |
| XlogP3-AA : | 4.80 |
| molecular weight : | 302.4510000 (IUPAC) |
| formula : | C20 H30 O2 |
| BioActivity Analysis : | 86409 |
| NMR Predictor : | Predict |
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| export tariff code : | 2916.20.0000 |
| fda reg : | 175.105 |
Suppliers :
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| Nanjing : | Abietic Acid
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| Penta : | abietic acid
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| Pfaltz & Bauer : | Abietic acid
Tech. Grade |
| Sigma-Aldrich-Fluka : | Abietic acid
technical, ~75% (GC) |
| TCI AMERICA : | Abietic Acid
>70.0%(GC) |
organoleptics :
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properties :
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| appearence : | colorless to yellow crystalline powder |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 139.00 to 142.00 °C. @ 760.00 mm Hg
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| boiling point : | 434.00 to 437.00 °C. @ 760.00 mm Hg
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| boiling point : | 250.00 °C. @ 9.00 mm Hg
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| flash point : | 406.00 °F. TCC ( 207.78 °C. )
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| logP (o/w) : | 6.46 |
| shelf life : | 36.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xi N - Irritant, Dangerous for the environment. |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. 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 37/39 - Wear suitable gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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| Oral Toxicity(LD50) : | | |
intravenous-Mouse 180.00 mg/kg
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| Dermal Toxicity(LD50) : | | |
Not determined
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| Inhalation Toxicity(LC50) : | | |
Not determined
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safety in use :
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| recommendation for abietic acid usage levels up to : | | | not for fragrance use.
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| recommendation for abietic acid usage levels up to : | | | not for flavor use.
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safety references :
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| EPI System : | view |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 3077 |
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| WGK Germany : | 3 |
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| | (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
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| (EINECS) number : | 208-178-3 |
| RTECS : | TP8580000 for 514-10-3 |
| chemidplus : | 000514103 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 514-10-3 |
| dtp/nci : | 25149 |
references :
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| | (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
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| NIST Chemistry WebBook : | 514103 |
| pubchem : | 153856 |
Cosmetics :
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| Cosmetic uses : |
emulsion stabilisers
surfactants
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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 |
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synonyms :
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| 7,13- | abietadien-18-oic acid | | laevo- | abietic acid | | (1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a- | decahydro-1,4a-dimethyl-7-(1-methyl ethyl)-1-phenanthrene carboxylic acid | | (1R,4aR,4bR,10aR)-1,4a- | dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid | | 13-iso | propyl podocarpa-7,13-dien-15-oic acid | | | sylvic acid |
soluble in :
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| | alcohol | | | water, 48.4 mg/L @ 20C |
insoluble in :
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| | water |
(odor and/or flavor) used in :
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| | antioxidants | | | cardiovascular agents | | | emulsion stabilisers | | | fibrin modulating agents | | | fibrinolytic agents | | | free radical scavengers | | | hematologic agents | | | surfactants |
natural occurrence in :
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| found in nature |
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