5-Hydroxymethylfurfural
- Formula: C6H6O3
- Molecular weight: 126.1100
- IUPAC Standard InChI: InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
- IUPAC Standard InChIKey: NOEGNKMFWQHSLB-UHFFFAOYSA-N
- CAS Registry Number: 67-47-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Furancarboxaldehyde, 5-(hydroxymethyl)-; 2-Furaldehyde, 5-(hydroxymethyl)-; HMF; 5-(Hyddroxymethyl)furfurole; 5-(Hydroxymethyl)-2-formylfuran; 5-(Hydroxymethyl)-2-furaldehyde; 5-(Hydroxymethyl)-2-furancarbonal; 5-(Hydroxymethyl)-2-furfural; 5-(Hydroxymethyl)-2-furfuraldehyde; 5-(Hydroxymethyl)furan-2-aldehyde; 5-Hydroxymethylfuraldehyde; 5-Oxymethylfurfurole; 5-Hydroxymethylfurfuraldehyde; 5-Hydroxymethyl-2-furancarbaldehyde; Hydroxymethylfurfuraldehyde; 5-(Hydroxymethyl)-2-furancarboxaldehyde; 2-Hydroxymethyl-5-furfural; NSC 40738; Hydroxymethylfurfural; Hydroxymethylfurfuralaldehyde; 5-(Hydroxymethyl)furan-2-carbaldehyde; 5-Hydroxymethyl-2-furfural (HMF)
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Van Den Dool and Kratz RI, polar column, custom temperature program
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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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Stabilwax | Carbowax | Carbowax | Carbowax | Carbowax |
| Column length (m) | 30. | ||||
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.3 | 0.3 | 0.3 | 0.3 |
| Phase thickness (μm) | 0.25 | ||||
| Program | 40C => 3C/min => 100C => 5C/min => 240C(10min) | not specified | not specified | not specified | not specified |
| I | 2509. | 2492. | 2493. | 2493. | 2494. |
| Reference | Natali N., Chinnici F., et al., 2006 | Baltes w. and Bochmann G., 1987 | Baltes w. and Bochmann G., 1987 | Baltes w. and Bochmann G., 1987 | Baltes w. and Bochmann G., 1987 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Carbowax |
| Column length (m) | |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.3 |
| Phase thickness (μm) | |
| Program | not specified |
| I | 2495. |
| Reference | Baltes w. and Bochmann G., 1987 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Natali N., Chinnici F., et al., 2006
Natali N.; Chinnici F.; Riponi C.,
Characterization of volatiles in extracts from oak chips obtained by accelerated solvent extraction (ASE),
J. Agric. Food Chem., 2006, 54, 21, 8190-8198, https://doi.org/10.1021/jf0614387
. [all data]
Baltes w. and Bochmann G., 1987
Baltes w.; Bochmann G.,
Model reactions on roast aroma formation. II. Mass spectrometric identification of furans and furanones from the reaction of serine and threonine with sucrose under the conditions of coffee roasting,
Z. Lebensm. Unters. Forsch., 1987, 184, 179-186. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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