1-Butanol, 3-methyl-, acetate

• Formula: C₇H₁₄O₂
• Molecular weight: 130.1849
• IUPAC Standard InChI: InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: MLFHJEHSLIIPHL-UHFFFAOYSA-N Copy
• CAS Registry Number: 123-92-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Isopentyl alcohol, acetate; Acetic acid, 3-methylbutyl ester; Banana oil; Isoamyl acetate; Isoamyl ethanoate; Isopentyl acetate; Pear oil; 3-Methyl-1-butyl acetate; 3-Methylbutyl acetate; CH3C(O)O(CH2)2CH(CH3)2; Isopentyl ethanoate; 3-Methyl-1-butanol acetate; 3-Methylbutyl ethanoate; Acetic acid, isopentyl ester; 2-Methylbutyl ethanoate; Isoamylester kyseliny octove; i-Amyl acetate; 3-Methylbutyl ester of acetic acid; β-Methyl butyl acetate; 3-Methyl butyl ester acetic acid; Amyl acetate ester; Amyl acetate, common; Isopentyl ester acetic acid; Acetic acid, isoamyl ester; 3-Methyl-1-butanyl acetate; 3-methyl-but-1-yl acetate; 1-Butanol, 3-methyl-, 1-acetate; NSC 9260; Isopentyl alcohol, acetate pear oil; Jargonelle pear essence; 3-methyl-1-butyl acetate (isoamyl acetate)
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Normal boiling point
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
  • Switch to SI units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Normal boiling point

Go To: Top, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

References

Go To: Top, Normal boiling point, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Subba Rao, Rao, et al., 1979
Subba Rao, D.; Rao, K.V.; Ravi Prasad, A.; Chiranjivi, C., J. Chem. Eng. Data, 1979, 24, 241-4. [all data]

Kal'nitskaya, Komarova, et al., 1977
Kal'nitskaya, A.M.; Komarova, L.F.; Garber, Yu.N., Azeotropic Series of aliphatic Alcohols with Acetate Esters, Zh. Prikl. Khim. (Leningrad), 1977, 50, 1101-5. [all data]

Ogata and Aoki, 1969
Ogata, Y.; Aoki, K., Reaction of Alkyl Iodides with Peracetic Acid in the Presence of Aromatic Compounds, J. Org. Chem., 1969, 34, 3974. [all data]

Sun and Connors, 1969
Sun, S.-R.; Connors, K.A., Identification of Low Molecular Weight Aliphatic Esters from Rates of Hydrolysis, J. Pharm. Sci., 1969, 58, 1150. [all data]

Ramana Rao, Husain, et al., 1964
Ramana Rao, M.V.; Husain, A.; Chari, K.S., Solubility and equilibrium data of m-cresol - water in methyl isobutyl ketone, n-butyl acetate and isoamyl acetate at 30c, Indian J. Technol., 1964, 2, 252-4. [all data]

Scheer, Koogman, et al., 1963
Scheer, J.C.; Koogman, E.C.; Sixma, F.L.J., Gas Phase Pyrolysis of Alkyl Acetates, Recl. Trav. Chim. Pays-Bas, 1963, 82, 1123. [all data]

Narasimhan, Reddy, et al., 1962
Narasimhan, K.S.; Reddy, C.C.; Chari, K.S., Solubility and equilibrium data of phenol-water-isoamyl acetate and phenol-water-methyl isobutyl ketone systems at 30 deg C., J. Chem. Eng. Data, 1962, 7, 457. [all data]

Zhdanov, Dorofeenko, et al., 1962
Zhdanov, Yu.A.; Dorofeenko, G.N.; Korol'chenko, G.A., Catalytic Acetylation of Polyhydroxy Compounds in the Presence of Magnesium Perchlorate, Dokl. Akad. Nauk SSSR, 1962, 144, 1050. [all data]

McGeer, Curtis, et al., 1952
McGeer, P.L.; Curtis, A.J.; Rathmann, G.B.; Smyth, C.P., Microwave Absorption and Molecular Structure in Liquids VIII. Dielectric Relaxation in Some Long Chain Esters, J. Am. Chem. Soc., 1952, 74, 3541-5. [all data]

Young and Webb, 1951
Young, W.G.; Webb, I.D., J. Am. Chem. Soc., 1951, 73, 780. [all data]

Houtman, Van Steenis, et al., 1946
Houtman, J.P.W.; Van Steenis, J.; Heertjes, P.M., Recl. Trav. Chim. Pays-Bas, 1946, 65, 781. [all data]

Friend and Hargreaves, 1943
Friend, J.N.; Hargreaves, W.D., LXXVI. Viscosity at the Boiling Point--The Rheochor, Philos. Mag., 1943, 34, 643-50. [all data]

Lecat, 1943
Lecat, M., Azeotropes of Ethyl Urethane and other Azeotropes, C. R. Hebd. Seances Acad. Sci., 1943, 217, 273. [all data]

Ewell and Welch, 1941
Ewell, R.H.; Welch, L.M., Maximum Boiling Mixtures of chloroparaffins with Donor Liquids, J. Am. Chem. Soc., 1941, 63, 2475. [all data]

Lecat, 1927
Lecat, M., New binary azeotropes: 6th list, Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 63-71. [all data]

Timmermans, 1927
Timmermans, J., The Melting Point of Organic Substances, Bull. Soc. Chim. Belg., 1927, 36, 502. [all data]

Hannotte, 1926
Hannotte, T., Azeotropic Properties of Formic Ethers and Acetates of Saturated Aliphatic Alcohols, Bull. Soc. Chim. Belg., 1926, 35, 86. [all data]

Lecat, 1926
Lecat, M., New binary azeotropes: 3rd list, Ann. Soc. Sci. Bruxelles, Ser. B, 1926, 45, 284-94. [all data]

Lecat, 1926, 2
Lecat, M., New binary azeotropes second list, Recl. Trav. Chim. Pays-Bas, 1926, 45, 620-627. [all data]

Munch, 1926
Munch, J.C., The Refractometric Determination of Alcohols and Esters in Aqueous and in Cottonseed Oil Solutions, J. Am. Chem. Soc., 1926, 48, 994-1003. [all data]

Falk, 1909
Falk, K.G., The Change in Refractive Index with Temperature II., J. Am. Chem. Soc., 1909, 31, 806-20. [all data]

Notes

Go To: Top, Normal boiling point, References

• Symbols used in this document:
  

  Tboil

  Boiling point

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.