Sec-butyl acetate

Base Information

• Chemical Name: Sec-butyl acetate
• CAS No.: 105-46-4
• Deprecated CAS: 116698-48-7
• Molecular Formula: C6H12O2
• Molecular Weight: 116.16
• Hs Code.: 2915.39
• European Community (EC) Number: 203-300-1
• ICSC Number: 0840
• NSC Number: 8034
• UN Number: 1123
• UNII: UVH2QII6CG
• DSSTox Substance ID: DTXSID0047612
• Nikkaji Number: J4.030D
• Wikipedia: Sec-Butyl_acetate
• Wikidata: Q421143
• Mol file: 105-46-4.mol

Synonyms:SEC-BUTYL ACETATE;105-46-4;dl-sec-Butyl acetate;2-Butyl acetate;butan-2-yl acetate;Acetic acid, 1-methylpropyl ester;1-Methylpropyl acetate;sec-Butyl ethanoate;2-Butanol acetate;1-Methylpropyl ethanoate;Acetic acid, sec-butyl ester;sec-Butyl alcohol acetate;Acetic acid, 2-butoxy ester;Acetate de butyle secondaire;Gelva;Acetic acid secondary butyl ester;NSC 8034;Acetic Acid sec-Butyl Ester;HSDB 673;UNII-UVH2QII6CG;UVH2QII6CG;EINECS 203-300-1;Acetate de butyle secondaire [French];BRN 1720689;NSC-8034;4-02-00-00148 (Beilstein Handbook Reference);D 50;Booksaver;Cascorez;Danfirm;Daratak;Duvilax;Movinyl;Rhodopas;sec-butylacetat;Soloid;Soviol;butyl ester;Lemac;Vinac;Butyl acetates;b-butyl acetate;Everflex B;Mowilith D;Pioloform F;Rhodopas B;Rhodopas M;Vinnapas B;Merckogel OR;Emultex F;Mowilith DV;Rhodopas BB;Vinacet D;Duvilax HN;Bakelite AYAA;Bakelite AYAF;Bakelite AYAT;En-cor;Toabond 2;Toabond 6;Elmer's Glue All;Mowilith 30;Mowilith 50;Mowilith 70;Mowilith 90;Raviflex 43;Mowilith M70;Rhodopas HV 2;Movinyl 50M;Polisol S-3;Toabond 40H;Vinipaint 555;Bakelite LP 90;Cemedine 196;Gohensil E 50Y;Rhodopas 010;Rhodopas A 10;Vinalite D 50N;Vinnapas B 17;Vinnapas UW 50;Merckogen 6000;AYAA;AYAF;AYJV;Duvilax BD 20;Duvilax LM 52;Movinyl 114;Movinyl 801;PVAE;Sakunol SN 08;Vinapol A 16;Butyl acetate, sec-;Asahisol 1527;Gohsenyl E 50 Y;Rhodopas 5425;Rhodopas AM 041;Vinnapas B 100;acetic acid sec-butyl;Gelva 25;Vinac B 7;Cevian 380;Formvar 1285;Rhodopas 5000SMR;Vinamul 9300;Bond CH 3;Gelva CSV 16;Vinac ASB 10;Gelva S 55H;Gelva TS 22;Gelva TS 23;Gelva TS 30;Gelva TS 85;Vinac RP251;2-ACETOXYBUTANE;Borden 2123;Cevian A 678;Esnil P 18;Gelva V 15;Gelva V 25;Mokotex D 2602;Ucar 15;BTA (CHRIS Code);Bond CH 18;Gelva GP 702;Elvacet 81-900;Gelva V 100;Gelva V 800;Plyamul 40-155;Plyamul 40-350;Lemac 1000;Meikatex 5000NG60;Ucar 130;Vinalite DS 41/11;PS 3h;SP 60 (Ester);76 Res;sec-Butyl acetate, 99%;Bond CH 1200;Actate de butyle secondaire;National 120-1207;Acetic acid-sec-butyl ester;S-Nyl-P 42;Resyn 25-1014;Resyn 25-1025;SCHEMBL26183;CH3COOCH(CH3)C2H5;sec-Butyl ester of acetic acid;DCA 70;SEC-BUTYL ACETATE [MI];DTXSID0047612;Acetic acid 1-methylpropyl ester;HSDB 1250;ASB 516;NSC8034;SEC-BUTYL ACETATE [INCI];WLN: 2Y1 & OV1;SP 60;RV225-5B;D 50 M;MFCD00009328;OM 100;UK 131;2-BUTYL ACETATE, (+/-)-;AKOS015915371;SEC-BUTYL ACETATE, (+/-)-;EP 1208;EP 1436;EP 1437;EP 1463;LS-2470;NS 2842;OR 1500;VA 0112;1-METHYLPROPYL ETHANOATE [HSDB];SEC-BUTYL ACETATE DL-FORM [MI];A0025;FT-0653023;P-170;V 501;Butyl acetates [UN1123] [Flammable liquid];Butyl acetates [UN1123] [Flammable liquid];Q421143;R 10688;J-001429;J-520419

Chemical Property of Sec-butyl acetate

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellowish liquid
• Vapor Pressure: 21.6mmHg at 25°C
• Melting Point: -99 °C(lit.)
• Refractive Index: 1.3899
• Boiling Point: 112.6 °C at 760 mmHg
• Flash Point: 16.1 °C
• PSA: 26.30000
• Density: 0.883 g/cm³
• LogP: 1.34800
• Storage Temp.: Flammables area
• Solubility.: alcohol: soluble(lit.)
• Water Solubility.: 3 g/100 mL (20 ºC)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 78.6
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

sec-Butyl Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38-66
• Safety Statements: 16-26-36/37/39-33-29-25-23-2

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Esters (
• Canonical SMILES: CCC(C)OC(=O)C
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The vapour is mildly irritating to the eyes and respiratory tract. The substance may cause effects on the central nervous system. Exposure far above the OEL could cause lowering of consciousness.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.
• Physical properties: Clear, colorless liquid with a pleasant odor. Odor threshold concentration in air is 2.4 ppbv (Nagata and Takeuchi, 1990).
• Uses: Solvent for nitrocellulose lacquers, thinners, nail enamels, leather finishes. In solvents, especially lacquer solvents; textile sizes and paper coatings sec-Butyl acetate is used in organic synthesis, catalytic agent, petrochemical additive.

Technology Process of Sec-butyl acetate

There total 63 articles about Sec-butyl acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

1-butylene (106-98-9,9003-28-5) + acetic acid (64-19-7,77671-22-8) → sec-Butyl acetate (105-46-4)

Guidance literature:

cation-exchanger; at 90 ℃; for 1.5h; drying by azeotropic distillation, industrial production;

Reference yield: 100.0%

butene-2 (107-01-7) + acetic acid (64-19-7,77671-22-8) → sec-Butyl acetate (105-46-4)

Guidance literature:

cation-exchanger; at 90 ℃; for 1.5h; drying by azeotropic distillation, industrial production;

Reference yield: 99.0%

acetic anhydride (108-24-7) + iso-butanol (78-92-2,15892-23-6) → sec-Butyl acetate (105-46-4)

Guidance literature:

With Cp₂Ti(OSO₂C₈F₁₇)2; at 20 ℃; for 0.0833333h; Neat (no solvent);

DOI:10.1016/j.jorganchem.2010.01.025

upstream raw materials:

tetrachloromethane

N-isobutyl-N-nitroso-acetamide

2-butyl iodide

silver(I) acetate

Downstream raw materials:

sec-Butylbenzene

2-tosyloxybutane

acetic acid

acetic acid butyl ester

Refernces

• 1、 Ogibin et al.. "". . . Retrieved 1975.
• 2、 Britton, Joshua,Dalziel, Stuart B.,Raston, Colin L.. "Continuous flow Fischer esterifications harnessing vibrational-coupled thin film fluidics". . p. 1655 - 1660. Retrieved 2015.
• 3、 Mowat, Jeffrey,Gries, Regine,Khaskin, Grigori,Gries, Gerhard,Britton, Robert. "(S)-2-pentyl (R)-3-hydroxyhexanoate, a banana volatile and its olfactory recognition by the common fruit fly, Drosophila melanogaster". . p. 772 - 776. Retrieved 2009.
• 4、 Niedermayer. "". . p. 953. Retrieved 1967.
• 5、 Oskooie, Hossein A.,Baghernezhad, Bita,Heravi, Majid M.,Beheshtiha. "Vanadyl sulfate (VOSO4.3H2O). An efficient catalyst for acylation of alcohols and phenols under solvent free condition". . p. 713 - 715. Retrieved 2008.
• 6、 Altschul. "-". . . Retrieved 1948.
• 7、 Angeletti, Enrico,Tundo, Pietro,Venturello, Paolo. "Gas-Liquid Phase-Transfer Catalysis: Catalytic and Continuous Transesterification Reaction". . p. 4106 - 4108. Retrieved 1983.
• 8、 Digman,R.V.,Anderson,D.F.. "". . p. 239 - 240. Retrieved 1963.
• 9、 Pathan, Soyeb,Patel, Anjali. "Keggin-type mono lacunary silicotungstate supported onto zirconia: Synthesis, characterization, and esterification reaction". . p. 4041 - 4049. Retrieved 2010.
• 10、 Lee, Donald G.,Yan, Yongfel,Chandler, W. David. "Measurement of equilibrium constants for the formation of esters from aliphatic carboxylic acids and alcohols". . p. 32 - 34. Retrieved 1994.