sec-butyl acetate

2-butyl acetate

CAS: 105-46-4 C6 H12 O2 MW: 116.16004000 solvent

Identification

Namesec-butyl acetate
IUPACbutan-2-yl acetate
CAS Number105-46-4
EINECS203-300-1
FDA UNIIUVH2QII6CG
Molecular FormulaC6 H12 O2
Molecular Weight116.16004000
MDL NumberMFCD00009328
Nikkaji NumberJ4.030D
Beilstein1720689
CoE Number10527
XlogP31.70 (est)

Regulatory

DG SANTE Food Flavourings09.323 sec-butyl acetate

Physical Properties

Appearance colorless clear liquid (est)
Assay 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed No
Specific Gravity 0.86700 to 0.87300 @ 25.00 °C.
Pounds per Gallon - (est). 7.214 to 7.264
Refractive Index 1.38500 to 1.39100 @ 20.00 °C.
Melting Point -98.90 °C. @ 760.00 mm Hg
Boiling Point 111.00 °C. @ 760.00 mm Hg
Vapor Pressure 17.000000 mmHg @ 20.00 °C.
Vapor Density 4.0 ( Air = 1 )
Flash Point 62.00 °F. TCC ( 16.67 °C. )
logP (o/w) 1.720
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description at 100.00 %.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 3200 mg/kg
Dermal ToxicityNot determined
Inhalation Toxicityinhalation-rat LCLo 24000 ppm/4H

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 sec-butyl acetate usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.0012 (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

Penta International Corporation

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Synerzine, Inc.

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Synerzine is a leading supplier of flavor and fragrance ingredients.

View All Website (404) 524-6744 info@synerzine.com

TCI AMERICA

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Potential Uses

None Found

Natural Occurrence

banana fruit beans PMC beer PMC cheese cheddar cheese PMC cheese gruyere cheese PMC cheese parmesan cheese PMC coffee PMC potato baked potato rum PMC sauromatum guttatum vinegar - up to 67 mg/kg walnut english walnut

Synonyms

acetic acid 1-methyl propyl ester acetic acid 1-methylpropyl ester acetic acid 2-butoxy ester acetic acid methylpropyl ester acetic acid sec-butyl ester acetic acid secondary butyl ester acetic acid, 1-methylpropyl ester acetic acid, 2-butoxy ester acetic acid, sec-butyl ester 2- acetoxybutane butan-2-yl acetate 2- butanol acetate 2- butyl acetate DL-sec- butyl acetate sec- butyl alcohol acetate sec- butyl ester of acetic acid sec- butyl ethanoate sec- butylacetate 1- methylpropyl acetate methylpropyl ethanoate 1- methylpropyl ethanoate Info: Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.) PubMed: [Determination of three ester compounds in gasoline by two-dimensional gas chromatography]. PubMed: Volatile fingerprint of Brazilian defective coffee seeds: corroboration of potential marker compounds and identification of new low quality indicators. PubMed: Feasibility of a breath test for monitoring adherence to vaginal administration of antiretroviral microbicide gels. PubMed: A novel breath test to directly measure use of vaginal gel and condoms. PubMed: Ion mobility spectrometry for detection of skin volatiles. PubMed: Design, synthesis and antimicrobial evaluation of novel 1-benzyl 2-butyl-4-chloroimidazole embodied 4-azafluorenones via molecular hybridization approach. PubMed: Fragrance material review on 2-methyl-4-phenyl-2-butyl acetate. PubMed: Determination of a novel TAZ modulator, 2-butyl-5-methyl-6-(pyridine-3-yl)-3-[2'-(1H-tetrazole-5-yl)-biphenyl-4-ylmethyl]-3H imidazo[4,5-b]pyridine] (TM-25659) in rat plasma by liquid chromatography-tandem mass spectrometry. PubMed: Losartan metabolite EXP3179 blocks NADPH oxidase-mediated superoxide production by inhibiting protein kinase C: potential clinical implications in hypertension. PubMed: Anaerobic degradation of nonylphenol in subtropical mangrove sediments. PubMed: Identification of pig liver esterase variants by tandem mass spectroscopy analysis and their characterization. PubMed: New constituents related to 3-methyl-2,4-nonanedione identified in green tea. PubMed: Hepatocellular toxicity and pharmacological effect of amiodarone and amiodarone derivatives. PubMed: Functional expression of the gamma-isoenzyme of pig liver carboxyl esterase in Escherichia coli. PubMed: Analysis of the loading and hydroxylation steps in lankamycin biosynthesis in Streptomyces rochei. PubMed: Effect of boiling and roasting on the fermentation of soybeans into dawadawa (soy-dawadawa). PubMed: Anaerobic degradability of alcohol ethoxylates and related non-ionic surfactants. PubMed: Lipase mediated chiral resolution of 4-arylthio-2-butanol as an intermediate for beta-lactam antibiotics. PubMed: Role of solid-phase microextraction in the identification of highly volatile pheromones of two Rhinoceros beetles Scapanes australis and Strategus aloeus (Coleoptera, Scarabaeidae, Dynastinae). PubMed: Application of tryptamine as a derivatizing agent for the determination of airborne isocyanates. Part 7. Selection of impinger solvents and the evaluation against dimethyl sulfoxide used in US NIOSH Regulatory Method 5522. PubMed: Oxidative cleavage of esters and amides to carbonyl products by cytochrome P450. PubMed: Evaluation of amiodarone free radical toxicity in rat hepatocytes. PubMed: Nonpeptide angiotensin II receptor antagonists. III. Structure-function studies. PubMed: [Stability of esters in the blood in vitro]. PubMed: Measurement of transmembrane potentials in Rhodospirillum rubrum chromatophores with an oxacarbocyanine dye. PubMed: Micelle formation and its relationship to solubility behavior of 2-butyl-3-benzofuranyl-4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride.