3-pentanol

diethyl carbinol

CAS: 584-02-1 C5 H12 O MW: 88.14984000 herbal

Identification

Name3-pentanol
IUPACpentan-3-ol
CAS Number584-02-1
EINECS209-526-7
FDA UNIIX4ELC182I5
Molecular FormulaC5 H12 O
Molecular Weight88.14984000
MDL NumberMFCD00004574
Nikkaji NumberJ2.675A
Beilstein1730964
CoE Number2349
XlogP31.20 (est)

Regulatory

DG SANTE Food Flavourings02.077 pentan-3-ol

Physical Properties

Appearance colorless clear liquid (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.81500 to 0.82200 @ 25.00 °C.
Pounds per Gallon - (est). 6.782 to 6.840
Refractive Index 1.40700 to 1.41300 @ 20.00 °C.
Melting Point -9.00 to -8.00 °C. @ 760.00 mm Hg
Boiling Point 114.00 to 115.00 °C. @ 749.00 mm Hg
Vapor Pressure 9.661000 mmHg @ 25.00 °C. (est)
Vapor Density 1.0 ( Air = 1 )
Flash Point 93.00 °F. TCC ( 33.89 °C. )
logP (o/w) 1.210
Soluble in alcohol
Similar Items note

Organoleptic Properties

Odor Description at 0.10 % in propylene glycol.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 1870 mg/kg
Dermal Toxicityskin-rabbit LD50 2520 ul/kg
Inhalation ToxicityNot determined

GHS Classification

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

Safety in Use

Categoryflavoring agents
Recommendation for 3-pentanol usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.19 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)3900 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
Dairy products, excluding products of category 02.0 (01.0)7.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)5.00000
Edible ices, including sherbet and sorbet (03.0)10.00000
Processed fruit (04.1)7.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)10.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)5.00000
Bakery wares (07.0)10.00000
Meat and meat products, including poultry and game (08.0)2.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)2.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)5.00000
Foodstuffs intended for particular nutritional uses (13.0)10.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)5.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)10.00000
Ready-to-eat savouries (15.0)20.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)5.00000

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Potential Uses

None Found

Natural Occurrence

apricot fruit - up to 1.3 mg/kg brandy grape brandy - up to 1.3 mg/kg PMC coffee PMC currant red currant fruit - up to 1.3 mg/kg guinea hen - up to 1.3 mg/kg PMC loquat fruit - up to 1.3 mg/kg mikan peel oil @ trace% Data milk - up to 1.3 mg/kg PMC mushroom - up to 1.3 mg/kg PMC olive - up to 1.3 mg/kg papaya fruit - up to 1.3 mg/kg rum - up to 1.3 mg/kg PMC shrimp - up to 1.3 mg/kg PMC tea - up to 34 mg/kg

Synonyms

diethyl carbinol pentan-3-ol 3- pentyl alcohol PubMed: Contribution of liver alcohol dehydrogenase to metabolism of alcohols in rats. PubMed: Synthesis, characterization, and reactivity studies of a water-soluble bis(alkoxo)(carboxylato)-bridged diMn(III) complex modeling the active site in catalase. PubMed: Field evaluation of the bacterial volatile derivative 3-pentanol in priming for induced resistance in pepper. PubMed: Behavioral and electrophysiological responses of Aedes albopictus to certain acids and alcohols present in human skin emanations. PubMed: Aroma enhancement and enzymolysis regulation of grape wine using β-glycosidase. PubMed: Dislodgement effect of natural semiochemicals released by disturbed triatomines: a possible alternative monitoring tool. PubMed: Ruthenium-catalyzed α-(hetero)arylation of saturated cyclic amines: reaction scope and mechanism. 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PubMed: Chemical communication in Chagas disease vectors. Source, identity, and potential function of volatiles released by the metasternal and Brindley's glands of Triatoma infestans adults. PubMed: New dimanganese(III) complexes of pentadentate (N2O3) Schiff base ligands with the [Mn2(mu-OAc)(mu-OR)2]3+ core: synthesis, characterization and mechanistic studies of H2O2 disproportionation. PubMed: Occurrence of polyfunctional thiols in fresh lager beers. PubMed: Synthesis of 9-[1-(1 -hydroxyethyl)-3-(phosphonomethoxy)propyl]adenine and prodrug as possible antiviral agents. PubMed: Photostability studies for micellar liquid chromatographic determination of nifedipine in serum and urine samples. PubMed: Kinetic resolution and chemoenzymatic dynamic kinetic resolution of functionalized gamma-hydroxy amides. PubMed: A direct passive method for measuring water and contaminant fluxes in porous media. 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PubMed: Translocation of paclobutrazol, a gibberellin biosynthesis inhibitor, in apple seedlings. PubMed: Purification and properties of a secondary alcohol dehydrogenase from the parasitic protozoan Tritrichomonas foetus. PubMed: Effect of inhibitors of gibberellin biosynthesis on the induction of α-amylase in embryoless caryopses of Hordeum vulgare cv. Himalaya. PubMed: Purification and characterization of a nicotinamide adenine dinucleotide-dependent secondary alcohol dehydrogenase from Candida boidinii. PubMed: Experimental neurotoxicity and urinary metabolites of the C5-C7 aliphatic hydrocarbons used as glue solvents in shoe manufacture. PubMed: Comparison of antimicrobial activity of nuclear-substituted aromatic esters of 5-dimethylamino-1-phenyl-3-pentanol and 3-dimethylamino-1-phenyl-1-propanol with related cyclic analogs. PubMed: The specificities and configurations of ternary complexes of yeast and liver alcohol dehydrogenases. 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