| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 2-hydroxy-1,2-diphenylethanone |
| InChI : | InChI=1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H |
| InChIKey : | ISAOCJYIOMOJEB-UHFFFAOYAO |
| SMILES : | C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O |
| cas number : | 119-53-9 |
| (EINECS) number : | 204-331-3 |
| beilstein number : | 0391839 |
| fema number : | 2132 |
| coe number : | 162 |
| jecfa number : | 836 |
| fl. number : | 07.028 |
| molar refractivity : | 62.30 ± 0.3 cm3 |
| parachor : | 479.9 ± 4.0 cm3 |
| index of refraction : | 1.609 ± 0.02 |
| surface tension : | 50.6 ± 3.0 dyne/cm |
| density : | 1.179 ± 0.06 g/cm3 |
| polarizability : | 24.70 ± 0.5 10-24cm3 |
| XlogP : | 2.40 |
| XlogP3 : | 2.10 |
| molecular weight : | 212.2438800 (IUPAC) |
| formula : | C14 H12 O2 |
| BioActivity Analysis : | 73794 |
| NMR Predictor : | Predict |
|
|
| |
|
| IUPAC name : | (2R)-2-hydroxy-1,2-di(phenyl)ethanone |
| InChI : | InChI=1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H/t13-/m1/s1 |
| InChIKey : | ISAOCJYIOMOJEB-CYBMUJFWBM |
| SMILES : | C1=CC=C(C=C1)[C@H](C(=O)C2=CC=CC=C2)O |
| cas number : | 5928-66-5 |
| molar refractivity : | 62.30 ± 0.3 cm3 |
| parachor : | 479.9 ± 4.0 cm3 |
| index of refraction : | 1.609 ± 0.02 |
| surface tension : | 50.6 ± 3.0 dyne/cm |
| density : | 1.179 ± 0.06 g/cm3 |
| polarizability : | 24.70 ± 0.5 10-24cm3 |
| XlogP : | 2.40 |
| molecular weight : | 212.2438800 (IUPAC) |
| formula : | C14 H12 O2 |
| NMR Predictor : | Predict |
|
|
| |
|
| IUPAC name : | (2S)-2-hydroxy-1,2-di(phenyl)ethanone |
| InChI : | InChI=1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H/t13-/m0/s1 |
| InChIKey : | ISAOCJYIOMOJEB-ZDUSSCGKBR |
| SMILES : | C1=CC=C(C=C1)[C@@H](C(=O)C2=CC=CC=C2)O |
| cas number : | 5928-67-6 |
| molar refractivity : | 62.30 ± 0.3 cm3 |
| parachor : | 479.9 ± 4.0 cm3 |
| index of refraction : | 1.609 ± 0.02 |
| surface tension : | 50.6 ± 3.0 dyne/cm |
| density : | 1.179 ± 0.06 g/cm3 |
| polarizability : | 24.70 ± 0.5 10-24cm3 |
| XlogP : | 2.40 |
| molecular weight : | 212.2438800 (IUPAC) |
| formula : | C14 H12 O2 |
| NMR Predictor : | Predict |
|
|
| |
|
| export tariff code : | 2914.49 |
| fda reg : | 172.515 73.100 |
Suppliers :
|
| Nanjing : | Benzoin
|
| Penta : | benzoin
|
| Pfaltz & Bauer : | Benzoin
|
| Sigma-Aldrich-SAFC : | Benzoin
≥98%, Kosher Odor: medicinal; vanilla |
| TCI AMERICA : | Benzoin
>98.0%(GC) |
organoleptics :
|
| odor type : | vanilla |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | vanilla medical |
properties :
|
| appearence : | pale yellow crystalline monoclinic prisms |
| assay : | 98.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| melting point : | 136.00 to 138.00 °C. @ 760.00 mm Hg
|
| melting point : | 132.00 to 137.00 °C. @ 760.00 mm Hg
|
| boiling point : | 194.00 °C. @ 12.00 mm Hg
|
| boiling point : | 344.00 °C. @ 760.00 mm Hg
|
| flash point : | not determined
|
| logP (o/w) : | 2.13 |
safety :
|
| most important hazard(s) : | None - None found. |
| |
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
|
| Oral Toxicity(LD50) : |
| |
Oral-Rat 10000.00 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 871, 1973.
Oral-Mouse >3000.00 mg/kg Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 359, 1984.
|
| Dermal Toxicity(LD50) : |
| |
Skin-Rabbit 8870.00 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 871, 1973.
|
| Inhalation Toxicity(LC50) : |
| |
Not determined
|
| |
safety in use :
|
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 6.20 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 21.00 (μg/capita/day) |
| |
| recommendation for benzoin usage levels up to : |
| | not for fragrance use.
|
| recommendation for benzoin usage levels up to : |
| | 5.0000 ppm in the flavor.
|
safety references :
|
| 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 |
| NIOSH International Chemical Safety Cards : | 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 |
| |
| WGK Germany : | 2 |
| |
| |
| |
| | 2-hydroxy-1,2-diphenylethanone
|
| (EINECS) number : | 204-331-3 |
| RTECS : | 119-53-9 |
| chemidplus : | 000119539 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 119-53-9 |
| dtp/nci : | 8082 |
| |
| |
| | (2R)-2-hydroxy-1,2-di(phenyl)ethanone
|
| chemidplus : | 5928-66-5 |
| EPA Substance Registry Services : | 5928-66-5 |
| |
| |
| | (2S)-2-hydroxy-1,2-di(phenyl)ethanone
|
| chemidplus : | 5928-67-6 |
| EPA Substance Registry Services : | 5928-67-6 |
references :
|
| | 2-hydroxy-1,2-diphenylethanone
|
| fl. number : | 07.028 |
| jecfa number : | 836 |
| NIST Chemistry WebBook : | 360374915 |
| pubchem : | 151548 |
| | (2R)-2-hydroxy-1,2-di(phenyl)ethanone
|
| NIST Chemistry WebBook : | 5928665 |
| pubchem : | 5928-66-5 |
| | (2S)-2-hydroxy-1,2-di(phenyl)ethanone
|
| NIST Chemistry WebBook : | 5928676 |
| pubchem : | 5928-67-6 |
Cosmetics :
|
| Cosmetic uses : |
perfuming agents
|
other :
|
| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |