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| IUPAC Name - | (4-propan-2-ylphenyl)methanol |
| InChI - | InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3 |
| InChIKey - | OIGWAXDAPKFNCQ-UHFFFAOYAM |
| SMILES - | CC(C)C1=CC=C(C=C1)CO |
| CAS Number : | 536-60-7 |
| (EINECS) Number : | 208-640-4 |
| Beilstein Number : | 0636665 |
| FEMA Number : | 2933 |
| COE Number : | 88 |
| Molar Refractivity : | 46.88 ± 0.3 cm3 (est) |
| Parachor : | 375.8 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.523 ± 0.02 (est) |
| Surface Tension : | 36.1 ± 3.0 dyne/cm (est) |
| Density : | 0.979 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.58 ± 0.5 10-24cm3 (est) |
| XlogP : | 2.60 (est) |
| XlogP3 : | 2.30 (est) |
| Molecular Weight : | 150.2175600 (IUPAC) (PT) (112) |
| Formula : | C10 H14 O |
| Pherobase Floral: | view |
| NMR Predictor : | Predict |
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| Category : | flavor and fragrance agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | 864
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| Fl@vouring Number : | 02.039
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| FDA Mainterm : | P-ISOPROPYLBENZYL ALCOHOL. |
| FDA Regulation. : | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Suppliers :
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| John D. Walsh : | Cuminyl Alcohol
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| Penta : | cuminyl alcohol
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| SAFC Global® : | p-Isopropylbenzyl alcohol
≥97%, Kosher |
| TCI AMERICA : | 4-Isopropylbenzyl Alcohol
>98.0%(GC) |
Organoleptics :
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| Odor Type : | spicy |
| Odor Strength : | medium |
Odor Description: at 100.00 %. | strong cumin caraway spicy herbal leather Luebke, William tgsc, (1992) |
| Odor sample from : | International Flavors & Fragrances Inc. |
| Substantivity : | 68 Hour(s) |
Properties :
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| Appearence : | colorless to pale yellow clear liquid |
| Assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| Specific Gravity : | 0.97000 to 0.97800 @ 25.00 °C.
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| Pounds per Gallon - est. : | 8.071 to 8.138
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| Specific Gravity : | 0.97100 to 0.97900 @ 20.00 °C.
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| Pounds per Gallon - est. : | 8.089 to 8.156
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| Refractive Index : | 1.51600 to 1.52200 @ 20.00 °C.
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| Boiling Point : | 135.00 to 136.00 °C. @ 26.00 mm Hg
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| Boiling Point : | 246.00 to 248.00 °C. @ 760.00 mm Hg
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| Flash Ppoint : | 225.00 °F. TCC ( 107.22 °C. )
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| logP (o/w) : | 2.37 |
Safety :
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| Most important hazard(s) : |
Xn - Harmful. |
| Human Experience : | 4 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
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Oral-Rat 1020.00 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 871, 1974.
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit 2500.00 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 871, 1974.
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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 : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.24 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.30 (μg/capita/day) |
| Structure Class : | I |
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| Recommendation for cuminyl alcohol fragrance usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| Recommendation for cuminyl alcohol flavor usage levels up to : |
| | 35.0000 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 |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | (4-propan-2-ylphenyl)methanol |
| BioActivity Analysis : | 48414818 |
| (EINECS) Number : | 208-640-4 |
| RTECS : | GZ7260000 for cas# 536-60-7 |
| Chemidplus : | 000536607 |
| EPA Substance Registry Services : | 536-60-7 |
| dtp/nci : | 15672 |
References :
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| | (4-propan-2-ylphenyl)methanol |
| NIST Chemistry WebBook : | 1903109630 |
| Pubchem : | 154126 |
| Flavornet : | 536-60-7 |
Cosmetics :
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| Cosmetic Uses : |
perfuming agents
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Other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |