1,3-Octanediol
- Formula: C8H18O2
- Molecular weight: 146.2273
- IUPAC Standard InChI: InChI=1S/C8H18O2/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3
- IUPAC Standard InChIKey: DCTMXCOHGKSXIZ-UHFFFAOYSA-N
- CAS Registry Number: 23433-05-8
- 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: Propane-1,3-diol, 1-pentyl-; octane-1,3-diol
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Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | A.A.Kutin, Moscow, Russia |
| NIST MS number | 269373 |
Gas Chromatography
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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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB5-30W | 1275. | Schwab and Schreier, 1988 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 60. C; Tend: 300. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Schwab and Schreier, 1988
Schwab, W.; Schreier, P.,
Simultaneous enzyme catalysis extraction: A versatile technique for the study of flavor precursors,
J. Agric. Food Chem., 1988, 36, 6, 1238-1242, https://doi.org/10.1021/jf00084a028
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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