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| IUPAC name : | 1,1'-biphenyl |
| InChI : | InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H |
| InChIKey : | ZUOUZKKEUPVFJK-UHFFFAOYAV |
| SMILES : | C1=CC=C(C=C1)C2=CC=CC=C2 |
| cas number : | 92-52-4 |
| (EINECS) number : | 202-163-5 |
| eu annex : | 601-042-00-8 |
| beilstein number : | 1634058 |
| fema number : | 3129 |
| coe number : | 10978 |
| jecfa number : | 1332 |
| fl. number : | 01.013 |
| molar refractivity : | 50.84 ± 0.3 cm3 |
| parachor : | 380.6 ± 4.0 cm3 |
| index of refraction : | 1.571 ± 0.02 |
| surface tension : | 36.6 ± 3.0 dyne/cm |
| density : | 0.996 ± 0.06 g/cm3 |
| polarizability : | 20.15 ± 0.5 10-24cm3 |
| XlogP : | 4.00 |
| XlogP3 : | 4.00 |
| molecular weight : | 154.2078000 (IUPAC) |
| formula : | C12 H10 |
| BioActivity Analysis : | 78941 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | 178.2010 |
Suppliers :
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| Nanjing : | Biphenyl
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| Penta : | biphenyl
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| Pfaltz & Bauer : | Biphenyl
99% |
| Sigma-Aldrich-SAFC : | Biphenyl
≥99% Odor: geranium; green |
| TCI AMERICA : | Biphenyl
>99.5%(GC) |
organoleptics :
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| odor type : | green |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in propylene glycol. | pungent rose green geranium |
properties :
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| appearence : | white to pale yellow crystalline powder |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99200 @ 25.00 °C.
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| refractive index : | 1.47500 @ 20.00 °C.
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| melting point : | 69.00 to 71.00 °C. @ 760.00 mm Hg
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| boiling point : | 254.00 to 256.00 °C. @ 760.00 mm Hg
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| boiling point : | 160.00 to 161.00 °C. @ 50.00 mm Hg
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| vapor pressure : | 0.00800 mm/Hg @ 25.00 °C. |
| vapor density : | 5.31 ( Air = 1 ) |
| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 3.98 |
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 23 - Do not breath vapour. S 60 - This material and its container must be disposed of as hazardous waste. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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| Oral Toxicity(LD50) : |
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Oral-Rat 2140.00 mg/kg National Technical Information Service. Vol. OTS0546109
Oral-Rabbit 2400.00 mg/kg Nagoya Shiritsu Daigaku Igakkai Zasshi. Journal of the Nagoya City University Medical Association. Vol. 28, Pg. 983, 197
Oral-Mouse 1900.00 mg/kg Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. Vol. 24, Pg. 268, 1983.
intravenous-Mouse 56.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5010.00 gm/kg Monsanto Co. Toxicity Information.
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| Inhalation Toxicity(LC50) : |
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Inhalation-Rat >200.00 mg/m3 Monsanto Co. Toxicity Information.
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.00085 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.70 (μg/capita/day) |
| Structure Class : | III |
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| recommendation for biphenyl usage levels up to : |
| | not for fragrance use.
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| recommendation for biphenyl usage levels up to : |
| | 2.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| IUCLID : | view |
| EPA-Iris : | IRIS |
| ClinicalTrials.gov : | search |
| Daily Med : | search |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| AIDS Citations : | 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 3077 |
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| WGK Germany : | 2 |
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| | 1,1'-biphenyl
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| (EINECS) number : | 202-163-5 |
| RTECS : | 92-52-4 |
| chemidplus : | 000092524 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 92-52-4 |
| dtp/nci : | 14916 |
references :
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| | 1,1'-biphenyl
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| fl. number : | 01.013 |
| jecfa number : | 1332 |
| NIST Chemistry WebBook : | 3086665995 |
| pubchem : | 150129 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |