Benzaldehyde
- Formula: C7H6O
- Molecular weight: 106.1219
- IUPAC Standard InChIKey: HUMNYLRZRPPJDN-UHFFFAOYSA-N
- CAS Registry Number: 100-52-7
- 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: Artificial Almond Oil; Benzaldehyde FFC; Benzenecarbonal; Benzenecarboxaldehyde; Benzoic aldehyde; Phenylmethanal; Almond artificial essential oil; Phenylmethanal benzenecarboxaldehyde; NCI-C56133; Oil of Bitter Almond; Artificial essential oil of almond; Benzene carbaldehyde; NA 1989; Artifical essential oil of almond; Artificial bitter almond oil; Benzenemethylal; Benzoyl hydride; Ethereal oil of bitter almonds; Benzylaldehyde; NSC 7917; Benzyaldehyde
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Kovats' RI, non-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 | DB-5 | DB-5 | BP-1 | Methyl Silicone | HP-5MS |
Column length (m) | 25. | 60. | 25. | 30. | 30. |
Carrier gas | He | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.32 | 0.55 | 0.32 | 0.25 |
Phase thickness (μm) | 0.15 | 1. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 40. | 60. | 60. | 60. |
Tend (C) | 220. | 230. | 220. | 225. | 280. |
Heat rate (K/min) | 3. | 3. | 5. | 2. | 3. |
Initial hold (min) | 3. | 5. | 2. | ||
Final hold (min) | 2. | 15. | 5. | ||
I | 936. | 970. | 936. | 940. | 961. |
Reference | Mevy, Bessiere, et al., 2006 | Buchin, Salmon, et al., 2002 | Jain, Srivastava, et al., 2001 | Jayaprakasha, Rao, et al., 2000 | Roussis, Tsoukatou, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | DB-1 | DB-1 | DB-1 |
Column length (m) | 30. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 50. | 30. | 30. | 30. | 30. |
Tend (C) | 250. | 220. | 220. | 210. | 210. |
Heat rate (K/min) | 3. | 2. | 2. | 2. | 2. |
Initial hold (min) | 5. | 4. | 4. | 4. | 4. |
Final hold (min) | |||||
I | 961. | 925. | 926. | 925. | 926. |
Reference | Tzakou, Harvala, et al., 2000 | Takeoka, Perrino, et al., 1996 | Takeoka, Perrino, et al., 1996 | Takeoka, Flath, et al., 1990 | Takeoka, Flath, et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | SE-30 | SE-30 | SE-30 | SE-30 |
Column length (m) | 30. | 50. | 50. | 50. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.5 | 0.5 | 0.5 | 0.5 |
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 0. | 40. | 40. | 70. | 70. |
Tend (C) | 250. | 170. | 170. | 170. | 170. |
Heat rate (K/min) | 12. | 3. | 3. | 5. | 5. |
Initial hold (min) | 12. | 3. | 3. | 2. | 2. |
Final hold (min) | 5. | 5. | |||
I | 949. | 936. | 938. | 947. | 949. |
Reference | Rembold, Wallner, et al., 1989 | Greenberg, 1981 | Greenberg, 1981 | Greenberg, 1981, 2 | Greenberg, 1981, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | OV-101 | OV-101 | OV-101 | OV-101 |
Column length (m) | 80. | 80. | 70. | 70. | 70. |
Carrier gas | N2 | N2 | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.28 | 0.28 | 0.28 | 0.28 | 0.28 |
Phase thickness (μm) | |||||
Tstart (C) | 80. | 80. | 80. | 80. | 80. |
Tend (C) | 200. | 200. | 200. | 200. | 200. |
Heat rate (K/min) | 1. | 1. | 2. | 2. | 2. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 947. | 951. | 941. | 946. | 942. |
Reference | Shibamoto, Kamiya, et al., 1981 | Shibamoto, Kamiya, et al., 1981 | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1979 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | OV-101 |
Column length (m) | 70. |
Carrier gas | N2 |
Substrate | |
Column diameter (mm) | 0.28 |
Phase thickness (μm) | |
Tstart (C) | 80. |
Tend (C) | 200. |
Heat rate (K/min) | 2. |
Initial hold (min) | |
Final hold (min) | |
I | 946. |
Reference | Yamaguchi and Shibamoto, 1979 |
Comment | MSDC-RI |
References
Go To: Top, Kovats' RI, non-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.
Mevy, Bessiere, et al., 2006
Mevy, J.-P.; Bessiere, J.-M.; Greff, S.; Zombre, G.; Viano, J.,
Composition of the volatile oil from the leaves of Ximenia americana L.,
Biochem. Syst. Ecol., 2006, 34, 7, 549-553, https://doi.org/10.1016/j.bse.2006.01.007
. [all data]
Buchin, Salmon, et al., 2002
Buchin, S.; Salmon, J.-C.; Carnat, A.-P.; Berger, T.; Bugaud, C.; Bosset, J.O.,
Identification de composés monoterpéniques, sesquiterpéniques et benzéniques dans un lait d'alpage très riche en ces substances,
Mitt. Lebensmittelunters. Hyg., 2002, 93, 199-216. [all data]
Jain, Srivastava, et al., 2001
Jain, N.; Srivastava, S.K.; Aggarwal, K.K.; Ramesh, S.; Kumar, S.,
Essential oil composition of Zanthoxylum alatum seeds from northern India,
Flavour Fragr. J., 2001, 16, 6, 408-410, https://doi.org/10.1002/ffj.1024
. [all data]
Jayaprakasha, Rao, et al., 2000
Jayaprakasha, G.K.; Rao, L.J.M.; Sakariah, K.K.,
Chemical composition of the flower oil of Cinnamomum zeylanicum blume,
J. Agric. Food Chem., 2000, 48, 9, 4294-4295, https://doi.org/10.1021/jf991395c
. [all data]
Roussis, Tsoukatou, et al., 2000
Roussis, V.; Tsoukatou, M.; Petrakis, P.V.; Chinou, I.; Skoula, M.; Harborne, J.B.,
Volatile constituents of four Helichrysum species growing in Greece,
Biochem. Syst. Ecol., 2000, 28, 2, 163-175, https://doi.org/10.1016/S0305-1978(99)00046-0
. [all data]
Tzakou, Harvala, et al., 2000
Tzakou, O.; Harvala, C.; Galati, E.M.; Sanogo, R.,
Essential oil composition of Nepeta argolica Borey et Chaub. subsp. argolica,
Flavour Fragr. J., 2000, 15, 2, 115-118, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<115::AID-FFJ877>3.0.CO;2-9
. [all data]
Takeoka, Perrino, et al., 1996
Takeoka, G.; Perrino, C., Jr.; Buttery, R.,
Volatile constituents of used frying oils,
J. Agric. Food Chem., 1996, 44, 3, 654-660, https://doi.org/10.1021/jf950430m
. [all data]
Takeoka, Flath, et al., 1990
Takeoka, G.R.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Guentert, M.,
Volatile Constituents of Apricot (Prunus armeniaca),
J. Agric. Food Chem., 1990, 38, 2, 471-477, https://doi.org/10.1021/jf00092a031
. [all data]
Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F.,
Volatile components of chickpea (Cicer arietinum L.) seed,
J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018
. [all data]
Greenberg, 1981
Greenberg, M.J.,
Characterization of meat and bone meal flavor volatiles,
J. Agric. Food Chem., 1981, 29, 6, 1276-1280, https://doi.org/10.1021/jf00108a043
. [all data]
Greenberg, 1981, 2
Greenberg, M.J.,
Characterization of poultry byproduct meal flavor volatiles,
J. Agric. Food Chem., 1981, 29, 4, 831-834, https://doi.org/10.1021/jf00106a038
. [all data]
Shibamoto, Kamiya, et al., 1981
Shibamoto, T.; Kamiya, Y.; Mihara, S.,
Isolation and identification of volatile compounds in cooked meat: sukiyaki,
J. Agric. Food Chem., 1981, 29, 1, 57-63, https://doi.org/10.1021/jf00103a015
. [all data]
Yamaguchi and Shibamoto, 1981
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita),
J. Agric. Food Chem., 1981, 29, 2, 366-370, https://doi.org/10.1021/jf00104a035
. [all data]
Yamaguchi and Shibamoto, 1979
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of Castanopsis flower,
J. Agric. Food Chem., 1979, 27, 4, 847-850, https://doi.org/10.1021/jf60224a025
. [all data]
Notes
Go To: Top, Kovats' RI, non-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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