4-phenyl-2-butanol

4-phenylbutan-2-ol

CAS: 2344-70-9 C10 H14 O MW: 150.22078000 floral floral

Identification

Name4-phenyl-2-butanol
IUPAC4-phenylbutan-2-ol
CAS Number2344-70-9
EINECS219-055-9
FDA UNIISZ2IE5UDQR
Molecular FormulaC10 H14 O
Molecular Weight150.22078000
MDL NumberMFCD00044349
Nikkaji NumberJ1.806F
CoE Number85

Regulatory

JECFA Food Flavoring815 4-phenyl-2-butanol
DG SANTE Food Flavourings02.036 4-phenylbutan-2-ol
FEMA Number2879
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)2344-70-9 ; 4-PHENYL-2-BUTANOL
FDA RegulationFDA 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 SDSView
European informationMost important hazard(s):
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for 4-phenyl-2-butanol usage levels up to8.0000 % 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 Concern1800 (μg/person/day)
Structure ClassI
baked goods1.50000
beverages(nonalcoholic)0.12000
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy0.60000
fruit ices0.60000
gelatins / puddings-
granulated sugar-
gravies-
hard candy1.50000
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-

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Potential Uses

FR floral FR peony FR rose

Natural Occurrence

blackberry fruit PMC

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. PubMed: Nonaqueous and halide-free route to crystalline BaTiO3, SrTiO3, and (Ba,Sr)TiO3 nanoparticles via a mechanism involving C-C bond formation. PubMed: 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.