4-phenyl-2-butanol
4-phenylbutan-2-ol
Identification
| Name | 4-phenyl-2-butanol |
| IUPAC | 4-phenylbutan-2-ol |
| CAS Number | 2344-70-9 |
| EINECS | 219-055-9 |
| FDA UNII | SZ2IE5UDQR |
| Molecular Formula | C10 H14 O |
| Molecular Weight | 150.22078000 |
| MDL Number | MFCD00044349 |
| Nikkaji Number | J1.806F |
| CoE Number | 85 |
Regulatory
| JECFA Food Flavoring | 815 4-phenyl-2-butanol |
| DG SANTE Food Flavourings | 02.036 4-phenylbutan-2-ol |
| FEMA Number | 2879 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 2344-70-9 ; 4-PHENYL-2-BUTANOL |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 97.00 to 100.00 |
| Additional Assay Information | racemate |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.97700 to 0.98300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.130 to 8.180 |
| Refractive Index | 1.51400 to 1.51800 @ 20.00 °C. |
| Boiling Point | 123.00 to 124.00 °C. @ 15.00 mm Hg, 239.00 to 240.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.015000 mmHg @ 25.00 °C. (est) |
| Flash Point | 231.00 °F. TCC ( 110.56 °C. ) |
| logP (o/w) | 2.131 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 44 hour(s) at 100.00 % |
| Odor Description | at 100.00 %. |
| Odor sample from | Sigma-Aldrich |
| Taste Description | floral spicy magnolia mango green petal tropical melon |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 4-phenyl-2-butanol usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.20 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.30 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 1.50000 |
| beverages(nonalcoholic) | 0.12000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.60000 |
| fruit ices | 0.60000 |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 1.50000 |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
Alfrebro LLC/ Archer Daniels Midland Company
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Building great taste with aroma chemicals, extracts, and distillates
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Penta International Corporation
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Synerzine, Inc.
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Potential Uses
Natural Occurrence
Synonyms
benzenepropanol, a-methyl-
butan-2-ol, 4-phenyl-
2-
butanol, 4-phenyl-
2-
hydroxy-4-phenyl butane
2-
hydroxy-4-phenylbutane
methyl 2-phenyl ethyl carbinol
methyl 2-phenylethyl carbinol
alpha-
methyl benzene propanol
methyl phenethyl carbinol
methyl phenyl ethyl carbinol
methyl-2-phenylethylcarbinol
a-
methylbenzenepropanol
methylphenethylcarbinol
phenethyl methyl carbinol
4-
phenyl butan-2-ol
phenyl ethyl methyl carbinol
1-
phenyl-3-butanol
4-
phenylbutan-2-ol
phenylethyl methyl carbinol
PubMed:
Online capillary solid-phase microextraction coupled liquid chromatography-mass spectrometry for analysis of chiral secondary alcohol products in yeast catalyzed stereoselective reduction cell culture.
PubMed:
Inhibition effects of benzylideneacetone, benzylacetone, and 4-phenyl-2-butanol on the activity of mushroom tyrosinase.
PubMed:
Acetophenone reductase with extreme stability against a high concentration of organic compounds or an elevated temperature.
PubMed:
Fragrance material review on 2-methyl-4-phenyl-2-butanol.
PubMed:
Use of perfluorinated phosphines to provide thermomorphic anticancer complexes for heat-based tumor targeting.
PubMed:
A Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase mutant derivative highly active and stereoselective on phenylacetone and benzylacetone.
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Nonaqueous and halide-free route to crystalline BaTiO3, SrTiO3, and (Ba,Sr)TiO3 nanoparticles via a mechanism involving C-C bond formation.
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Aminocyclopentadienyl ruthenium complexes as racemization catalysts for dynamic kinetic resolution of secondary alcohols at ambient temperature.
PubMed:
Stable isotope characterization of raspberry ketone extracted from Taxus baccata and obtained by oxidation of the accompanying alcohol (Betuligenol).
PubMed:
Biotransformation of terodiline I. Identification of metabolites in dog urine by mass spectrometry.
PubMed:
The mode of binding of potential transition-state analogs to acetylcholinesterase.