sec-butyl acetate
2-butyl acetate
Identification
| Name | sec-butyl acetate |
| IUPAC | butan-2-yl acetate |
| CAS Number | 105-46-4 |
| EINECS | 203-300-1 |
| FDA UNII | UVH2QII6CG |
| Molecular Formula | C6 H12 O2 |
| Molecular Weight | 116.16004000 |
| MDL Number | MFCD00009328 |
| Nikkaji Number | J4.030D |
| Beilstein | 1720689 |
| CoE Number | 10527 |
| XlogP3 | 1.70 (est) |
Regulatory
| DG SANTE Food Flavourings | 09.323 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 SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 3200 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-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
| Category | flavoring agents |
| Recommendation for sec-butyl acetate usage levels up to | not 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 Concern | 1800 (μg/person/day) |
| Structure Class | I |
| 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
Chemistry innovation
At Penta, our products and services help businesses do business better.
Synerzine, Inc.
Innovation. Customization. Aroma Ingredients.
Synerzine is a leading supplier of flavor and fragrance ingredients.
Potential Uses
Natural Occurrence
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.