2,3-Butanediol, diacetate

Formula: C₈H₁₄O₄
Molecular weight: 174.1944
IUPAC Standard InChI: InChI=1S/C8H14O4/c1-5(11-7(3)9)6(2)12-8(4)10/h5-6H,1-4H3
IUPAC Standard InChIKey: VVSAAKSQXNXBML-UHFFFAOYSA-N
CAS Registry Number: 1114-92-7
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.
Species with the same structure:
- D(+)-2,3-diacetoxybutane
Stereoisomers:
Other names: 2,3-Butanediyl diacetate; Butane-2,3-diol, diacetate; 2,3-Diacetoxybutane; Butane-2,3-diyl diacetate; 2-(Acetyloxy)-1-methylpropyl acetate
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Other data available:
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	BP-20	1525.	Wyllie and Leach, 1990	70. C @ 2. min, 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; T_end: 200. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1080.	Shalit, Katzir, et al., 2001	He, 50. C @ 1. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_end: 200. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1065.4	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
Capillary	DB-5	1064.	Beaulieu and Grimm, 2001	30. m/0.25 mm/0.25 μm, He; Program: 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax Etr	1495.	Aubert C. and Pitrat M., 2006	30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 5. K/min, 250. C @ 15. min
Capillary	DB-Wax Etr	1532.	Aubert C. and Pitrat M., 2006	30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 5. K/min, 250. C @ 15. min
Capillary	CP-Wax 52CB	1487.	Kourkoutas, Elmore, et al., 2006	60. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 40. C; T_end: 250. C

Van Den Dool and Kratz RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	SOLGel-Wax	1483.	Aubert, Baumann, et al., 2005	30. m/0.25 mm/0.25 μm, He; Program: 35C(5min) => 3C/min => 150C => 5C/min => 250C (10min)
Capillary	SOLGel-Wax	1521.	Aubert, Baumann, et al., 2005	30. m/0.25 mm/0.25 μm, He; Program: 35C(5min) => 3C/min => 150C => 5C/min => 250C (10min)

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1484.	Hayata, Sakamoto, et al., 2002	60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 220. C @ 10. min
Capillary	DB-Wax	1501.	Hayata, Sakamoto, et al., 2002	60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 220. C @ 10. min

References

Go To: Top, Gas Chromatography, Notes

Wyllie and Leach, 1990
Wyllie, S.G.; Leach, D.N., Aroma volatiles of Cucumis melo cv. golden crispy, J. Agric. Food Chem., 1990, 38, 11, 2042-2044, https://doi.org/10.1021/jf00101a008 . [all data]

Shalit, Katzir, et al., 2001
Shalit, M.; Katzir, N.; Tadmor, Y.; Larkov, O.; Burger, Y.; Shalekhet, F.; Lastochkin, E.; Ravid, U.; Amar, O.; Edelstein, M.; Karchi, Z.; Lewinsohn, E., Acetyl-CoA: alcohol acetyltransferase activity and aroma formation in ripening melon fruits, J. Agric. Food Chem., 2001, 49, 2, 794-799, https://doi.org/10.1021/jf001075p . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C., Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction, J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768 . [all data]

Aubert C. and Pitrat M., 2006
Aubert C.; Pitrat M., Volatile compounds in the skin and pulp of Queen Anne's pocket melon, J. Agric. Food Chem., 2006, 54, 21, 8177-8182, https://doi.org/10.1021/jf061415s . [all data]

Kourkoutas, Elmore, et al., 2006
Kourkoutas, D.; Elmore, J.S.; Mottram, D.S., Comparison of the volatile compositions and flavour properties of cantaloupe, Galia and honeydew muskmelons, Food Chem., 2006, 97, 1, 95-102, https://doi.org/10.1016/j.foodchem.2005.03.026 . [all data]

Aubert, Baumann, et al., 2005
Aubert, C.; Baumann, S.; Arguel, H., Optimization of the Analysis of Flavor Volatile Compounds by Liquid-Liquid Microextraction (LLME). Application to the Aroma Analysis of Melons, Peaches, Grapes, Strawberries, and Tomatoes, J. Agric. Food Chem., 2005, 53, 23, 8881-8895, https://doi.org/10.1021/jf0510541 . [all data]

Hayata, Sakamoto, et al., 2002
Hayata, Y.; Sakamoto, T.; Kozuka, H.; Sakamoto, K.; Osajima, Y., Analysis of aromatic volatile compounds in 'Miyabi' melon (Cucumis melo L.) using the Porapak Q column, J. Jpn. Soc. Hortic. Sci., 2002, 71, 4, 517-525, https://doi.org/10.2503/jjshs.71.517 . [all data]

Notes

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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