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| IUPAC name : | 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta(g)-2-benzopyran |
| InChI : | InChI=1/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3 |
| InChIKey : | ONKNPOPIGWHAQC-UHFFFAOYAG |
| SMILES : | CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C |
| cas number : | 1222-05-5 |
| % from : | 48.00% to 52.00% |
| (EINECS) number : | 214-946-9 |
| molar refractivity : | 80.26 ± 0.3 cm3 |
| parachor : | 649.0 ± 4.0 cm3 |
| index of refraction : | 1.499 ± 0.02 |
| surface tension : | 31.8 ± 3.0 dyne/cm |
| density : | 0.945 ± 0.06 g/cm3 |
| polarizability : | 31.81 ± 0.5 10-24cm3 |
| XlogP : | 5.10 |
| molecular weight : | 258.3984400 (IUPAC) |
| formula : | C18 H26 O |
| NMR Predictor : | Predict |
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| IUPAC name : | phenylmethyl benzoate |
| InChI : | InChI=1/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2 |
| InChIKey : | SESFRYSPDFLNCH-UHFFFAOYAD |
| SMILES : | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2 |
| cas number : | 120-51-4 |
| % from : | 52.00% to 48.00% |
| (EINECS) number : | 204-402-4 |
| eu annex : | 607-085-00-9 |
| beilstein number : | 2049280 |
| fema number : | 2138 |
| coe number : | 262 |
| jecfa number : | 24 |
| fl. number : | 09.727 |
| molar refractivity : | 62.51 ± 0.3 cm3 |
| parachor : | 484.2 ± 4.0 cm3 |
| index of refraction : | 1.579 ± 0.02 |
| surface tension : | 44.0 ± 3.0 dyne/cm |
| density : | 1.128 ± 0.06 g/cm3 |
| polarizability : | 24.78 ± 0.5 10-24cm3 |
| XlogP : | 3.70 |
| molecular weight : | 212.2438800 (IUPAC) |
| formula : | C14 H12 O2 |
| BioActivity Analysis : | 73793 |
| NMR Predictor : | Predict |
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| export tariff code : | 3302.90.9090 |
| fda reg : | unspecified |
Suppliers :
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| IFF : | Galaxolide®
50% in BB Odor: Musk, Floral, Woody A clean, powerful and versatile iso-chroman musk having exceptional persistence and a superb fragrance quality approaching the tone of the macrocyclic musks. |
| John D. Walsh : | Galaxolide 50 BB
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| Penta : | galaxolide
50% in b.b. |
| Polarome : | POLARLIDE 50 BB
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| Vigon : | Galaxolide
50% in Benzyl Benzoate Odor: PERSISTENT, POWERFUL MUSK |
organoleptics :
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| odor type : | musk |
| odor strength : | medium |
odor description: at 100.00 %. | strong diffusive sweet floral musk Luebke, William tgsc, (1987) |
| odor sample from : | International Flavors & Fragrances Inc. |
properties :
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| appearence : | pale yellow to yellow clear oily liquid |
| assay : | 48.00 to 52.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.11600 to 1.12000 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.286 to 9.320
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| refractive index : | 1.56600 to 1.57000 @ 20.00 °C.
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| boiling point : | 326.00 to 327.00 °C. @ 760.00 mm Hg
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| flash point : | 202.00 °F. TCC ( 94.44 °C. )
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| logP (o/w) : | 6.23 |
safety :
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| most important hazard(s) : | Xi N - Irritant, Dangerous for the environment. |
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R 38 - Irritating to 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 - Avoid contact with skin. S 36 - Wear suitable protective clothing. 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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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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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 : | fragrance agents |
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| recommendation for musk gx 50% in bb fragrance usage levels up to : |
| | 50.0000 % in the fragrance concentrate.
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| recommendation for musk gx 50% in bb flavor 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 |
| 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 |
| SCCNFP : | opinion |
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| WGK Germany : | 3 |
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| | 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta(g)-2-benzopyran |
| (EINECS) number : | 214-946-9 |
| chemidplus : | 001222055 |
| EPA Substance Registry Services : | 1222-05-5 |
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| | phenylmethyl benzoate |
| (EINECS) number : | 204-402-4 |
| RTECS : | DG4200000 for cas# 120-51-4 |
| chemidplus : | 000120514 |
| EPA Substance Registry Services : | 120-51-4 |
| dtp/nci : | 8081 |
references :
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| Leffingwell : | chirality |
| | 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta(g)-2-benzopyran |
| NIST Chemistry WebBook : | 1901910895 |
| pubchem : | 668252 |
| | phenylmethyl benzoate |
| fl. number : | 09.727 |
| jecfa number : | 24 |
| NIST Chemistry WebBook : | 969795541 |
| pubchem : | 151586 |
| Flavornet : | 120-51-4 |
Cosmetics :
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| Cosmetic uses : |
masking agents
perfuming agents
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other :
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| CosIng : | cosmetic data |