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| IUPAC name : | 2-bromoethenylbenzene |
| InChI : | InChI=1/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H |
| InChIKey : | YMOONIIMQBGTDU-UHFFFAOYAF |
| SMILES : | C1=CC=C(C=C1)C=CBr |
| cas number : | 103-64-0 |
| (EINECS) number : | 203-131-3 |
| beilstein number : | 2038495 |
| molar refractivity : | 45.24 ± 0.3 cm3 |
| parachor : | 322.5 ± 4.0 cm3 |
| index of refraction : | 1.630 ± 0.02 |
| surface tension : | 41.5 ± 3.0 dyne/cm |
| density : | 1.440 ± 0.06 g/cm3 |
| polarizability : | 17.93 ± 0.5 10-24cm3 |
| XlogP : | 3.40 |
| XlogP3 : | 2.90 |
| molecular weight : | 183.0451800 (IUPAC) |
| formula : | C8 H7 Br |
| BioActivity Analysis : | 73761 |
| NMR Predictor : | Predict |
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| IUPAC name : | [(E)-2-bromoethenyl]benzene |
| InChI : | InChI=1/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6+ |
| InChIKey : | YMOONIIMQBGTDU-VOTSOKGWBU |
| SMILES : | C1=CC=C(C=C1)\C=C\Br |
| cas number : | 1340-14-3 |
| molar refractivity : | 45.24 ± 0.3 cm3 |
| parachor : | 322.5 ± 4.0 cm3 |
| index of refraction : | 1.630 ± 0.02 |
| surface tension : | 41.5 ± 3.0 dyne/cm |
| density : | 1.440 ± 0.06 g/cm3 |
| polarizability : | 17.93 ± 0.5 10-24cm3 |
| XlogP : | 3.40 |
| XlogP3 : | 2.90 |
| molecular weight : | 183.0451800 (IUPAC) |
| formula : | C8 H7 Br |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Berje : | Bromstyrol
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| Fleurchem : | brom o styrene
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| Penta : | bromstyrol
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| Sigma-Aldrich-Aldrich : | beta-Bromostyrene
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| Vigon : | Bromstyrol
Odor: FLORAL, GREEN, POWERFUL |
organoleptics :
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| odor type : | green |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description :¹ at 1.00 % in dipropylene glycol. | strong leafy green hyacinth |
| odor sample from : | Berje Inc. |
| substantivity : | 32 Hour(s) |
properties :
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| appearence : | yellow orange clear liquid |
| assay : | 98.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.39500 to 1.42400 @ 25.00 °C.
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| pounds per gallon - calc. : | 11.608 to 11.849
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| refractive index : | 1.60200 to 1.60900 @ 20.00 °C.
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| melting point : | 6.00 to 7.00 °C. @ 760.00 mm Hg
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| boiling point : | 110.00 to 112.00 °C. @ 20.00 mm Hg
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| boiling point : | 219.00 to 220.00 °C. @ 760.00 mm Hg
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| congealing point : | -1.00 °C.
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| vapor pressure : | 0.12300 mm/Hg @ 25.00 °C. |
| flash point : | 215.00 °F. TCC ( 101.67 °C. )
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| logP (o/w) : | 3.15 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Human experience : | 4 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 1250.00 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 1043, 1973.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 8400.00 mg/kg
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for bromstyrol usage levels up to : |
| | PROHIBITED : Should not be used as a fragrance ingredient.
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| recommendation for bromstyrol usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| IFRA : | IFRA - ( Found under : Other materials ) |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 2-bromoethenylbenzene
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| (EINECS) number : | 203-131-3 |
| RTECS : | WL3850000 for 103-64-0 |
| chemidplus : | 000103640 |
| EPA Substance Registry Services : | 103-64-0 |
| dtp/nci : | 8047 |
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| | [(E)-2-bromoethenyl]benzene
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| chemidplus : | 000103640 |
| EPA Substance Registry Services : | 1340-14-3 |
references :
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| | 2-bromoethenylbenzene
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| pubchem : | 73761 |
| | [(E)-2-bromoethenyl]benzene
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| NIST Chemistry WebBook : | 2409263619 |
| pubchem : | 150749 |
Cosmetics :
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| Cosmetic uses : |
not used anymore
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1985)¹ |
| CosIng : | cosmetic data |