Ethane, 1,1-diethoxy-
- Formula: C6H14O2
- Molecular weight: 118.1742
- IUPAC Standard InChIKey: DHKHKXVYLBGOIT-UHFFFAOYSA-N
- CAS Registry Number: 105-57-7
- 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. - Other names: Acetaldehyde, diethyl acetal; Acetal; Diethyl acetal; Ethylidene diethyl ether; 1,1-Diethoxyethane; CH3CH(OC2H5)2; Acetal diethylique; Diaethylacetal; 1,1-Diaethoxy-aethan; 1,1-Diethoxy-ethaan; 1,1-Dietossietano; Acetale; Acetol; UN 1088; USAF DO-45; Capsicum annuum l; Ethylidine diethyl ether; Diethoxy-1,1-ethane; NSC 7624; Ethanal diethyl acetal; acetal (acetaldehyde diethyl acetal)
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Normal alkane RI, polar column, temperature ramp
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 57 CB | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | Hydrogen | He | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.20 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 35. | 30. | 40. | 40. | 40. |
Tend (C) | 150. | 210. | 230. | 230. | 230. |
Heat rate (K/min) | 4. | 5. | 4. | 4. | 6. |
Initial hold (min) | 5. | 2. | 2. | 2. | |
Final hold (min) | 17.5 | 5. | 15. | 15. | |
I | 928. | 894. | 889. | 892. | 891. |
Reference | Callejon, Morales, et al., 2008 | Kumazawa, Itobe, et al., 2008 | Xu, Fan, et al., 2007 | Fan and Qian, 2006 | Fan and Qian, 2006, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M | Carbowax 20M |
Column length (m) | 30. | 30. | 60. | 50. | 50. |
Carrier gas | N2 | He | He | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.22 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | |||
Tstart (C) | 40. | 40. | 40. | 80. | 80. |
Tend (C) | 230. | 185. | 200. | 200. | 200. |
Heat rate (K/min) | 4. | 4. | 2. | 3. | 3. |
Initial hold (min) | 2. | 4. | 2. | ||
Final hold (min) | 5. | 20. | |||
I | 889. | 900. | 898. | 890. | 890. |
Reference | Fan and Qian, 2005 | Lee and Noble, 2003 | Umano, Hagi, et al., 1995 | Mihara, Tateba, et al., 1988 | Mihara, Tateba, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | BP-20 |
Column length (m) | 50. | 50. | 25. |
Carrier gas | N2 | N2 | |
Substrate | |||
Column diameter (mm) | 0.22 | 0.22 | 0.2 |
Phase thickness (μm) | |||
Tstart (C) | 80. | 80. | 70. |
Tend (C) | 200. | 200. | 180. |
Heat rate (K/min) | 3. | 3. | 3. |
Initial hold (min) | 5. | ||
Final hold (min) | |||
I | 890. | 890. | 880. |
Reference | Mihara, Tateba, et al., 1987 | Mihara, Tateba, et al., 1987 | MacLeod and Snyder, 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Callejon, Morales, et al., 2008
Callejon, R.M.; Morales, M.L.; Ferreira, A.C.S.; Troncoso, A.M.,
Defining the typical aroma of sherry vinegar: sensory and chemical approach,
J. Agric. Food Chem., 2008, 56, 17, 8086-8095, https://doi.org/10.1021/jf800903n
. [all data]
Kumazawa, Itobe, et al., 2008
Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T.,
A new approach to estimate the in-mouth release characteristics of odorants in chewing gum,
Food Science and Technology Research, 2008, 14, 3, 269-276, https://doi.org/10.3136/fstr.14.269
. [all data]
Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732
. [all data]
Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t
. [all data]
Fan and Qian, 2006, 2
Fan, W.; Qian, M.C.,
Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry,
Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621
. [all data]
Fan and Qian, 2005
Fan, W.; Qian, M.C.,
Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
J. Agric. Food Chem., 2005, 53, 20, 7931-7938, https://doi.org/10.1021/jf051011k
. [all data]
Lee and Noble, 2003
Lee, S.-J.; Noble, A.C.,
Characterization of odor-active compounds in Californian Chardonnay wines using GC-olfactometry and GC-mass spectrometry,
J. Agric. Food Chem., 2003, 51, 27, 8036-8044, https://doi.org/10.1021/jf034747v
. [all data]
Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T.,
Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system,
J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046
. [all data]
Mihara, Tateba, et al., 1988
Mihara, S.; Tateba, H.; Nishimura, O.; Machii, Y.; Kishino, K.,
The volatile components of Chinese quince (Pseudocydonia sinensis Schneid)
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 537-550. [all data]
Mihara, Tateba, et al., 1987
Mihara, S.; Tateba, H.; Nishimura, O.; Machii, Y.; Kishino, K.,
Volatile components of Chinese quince (Pseudocydonia sinensis Schneid),
J. Agric. Food Chem., 1987, 35, 4, 532-537, https://doi.org/10.1021/jf00076a023
. [all data]
MacLeod and Snyder, 1985
MacLeod, A.J.; Snyder, C.H.,
Volatile components of two cultivars of mango from Florida,
J. Agric. Food Chem., 1985, 33, 3, 380-384, https://doi.org/10.1021/jf00063a015
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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