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, 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 | BP-20 | PE-Wax | Supelcowax | DB-Wax | PE-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | N2 | N2 | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 220. | 200. | 240. | 220. | 200. |
Heat rate (K/min) | 5. | 5. | 3. | 2. | 5. |
Initial hold (min) | 4. | 5. | 5. | 4. | |
Final hold (min) | 14. | 5. | 10. | 5. | 5. |
I | 1488. | 1501. | 1508. | 1508. | 1501. |
Reference | Khan, Verma, et al., 2006 | Chandravadana, Vekateshwarlu, et al., 2005 | Riu-Aumatell, Castellari, et al., 2004 | Nagarajan, Rao, et al., 2001 | Venkateshwarlu, Chandravadana, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Supelcowax-10 | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | |||
Tstart (C) | 35. | 35. | 40. | 40. | 40. |
Tend (C) | 200. | 200. | 190. | 200. | 200. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | 5. | 5. | 6. | 5. | 5. |
Final hold (min) | 20. | 20. | |||
I | 1520. | 1520. | 1520. | 1528. | 1529. |
Reference | Wong and Teng, 1994 | Wong and Tie, 1993 | Shimoda and Shibamoto, 1990 | Tatsuka, Suekane, et al., 1990 | Tatsuka, Suekane, et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Carbowax 20M | DB-Wax | Carbowax 20M |
Column length (m) | 60. | 60. | 50. | 60. | 50. |
Carrier gas | He | He | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | 0.3 |
Phase thickness (μm) | 0.25 | 0.25 | 0.15 | ||
Tstart (C) | 40. | 40. | 80. | 40. | 70. |
Tend (C) | 200. | 200. | 200. | 200. | 210. |
Heat rate (K/min) | 3. | 3. | 2. | 2. | 2. |
Initial hold (min) | 5. | 5. | 10. | ||
Final hold (min) | |||||
I | 1527. | 1529. | 1494. | 1515. | 1486. |
Reference | Tatsuka, Suekane, et al., 1990 | Tatsuka, Suekane, et al., 1990 | Nishimura, Yamaguchi, et al., 1989 | Umano and Shibamoto, 1987 | Gaydou, Randriamiharisoa, et al., 1986 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Packed | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | PEG-20M | BP-20 | Carbowax 20M | Carbowax 20M |
Column length (m) | 30. | 5.5 | 25. | 150. | 150. |
Carrier gas | N2 | N2 | H2 | He | |
Substrate | Celite | ||||
Column diameter (mm) | 0.25 | 0.20 | 0.64 | 0.64 | |
Phase thickness (μm) | |||||
Tstart (C) | 60. | 70. | 65. | 50. | 50. |
Tend (C) | 200. | 175. | 180. | 170. | 170. |
Heat rate (K/min) | 2. | 10. | 12. | 1. | 1. |
Initial hold (min) | 10. | 9. | 3. | 30. | 30. |
Final hold (min) | |||||
I | 1512. | 1502. | 1502. | 1520. | 1520. |
Reference | Umano, Shoji, et al., 1986 | Galt and MacLeod, 1984 | MacLeod and Pieris, 1983 | Buttery, Kamm, et al., 1982 | Buttery, Ling, et al., 1982 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 150. | 50. | 50. | 70. | 70. |
Carrier gas | He | N2 | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.64 | 0.28 | 0.28 | 0.28 | 0.28 |
Phase thickness (μm) | |||||
Tstart (C) | 50. | 80. | 80. | 80. | 80. |
Tend (C) | 170. | 200. | 200. | 200. | 200. |
Heat rate (K/min) | 1. | 2. | 2. | 2. | 2. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 1520. | 1500. | 1509. | 1482. | 1488. |
Reference | Buttery, Seifert, et al., 1982 | Shibamoto, Kamiya, et al., 1981 | Shibamoto, Kamiya, et al., 1981 | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1981 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 30. | 30. | 50. | 50. |
Carrier gas | N2 | N2 | He | He |
Substrate | ||||
Column diameter (mm) | 0.26 | 0.26 | 0.28 | 0.28 |
Phase thickness (μm) | ||||
Tstart (C) | 70. | 70. | 70. | 70. |
Tend (C) | 170. | 170. | 190. | 190. |
Heat rate (K/min) | 3. | 3. | 2. | 2. |
Initial hold (min) | ||||
Final hold (min) | ||||
I | 1521. | 1525. | 1505. | 1502. |
Reference | Spencer, Pangborn, et al., 1978 | Spencer, Pangborn, et al., 1978 | Tressl, Friese, et al., 1978 | Tressl, Friese, et al., 1978, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Khan, Verma, et al., 2006
Khan, M.; Verma, S.C.; Srivastava, S.K.; Shawl, A.S.; Syamsundar, K.V.; Khanuja, S.P.S.; Kumar, T.,
Essential oil composition of Taxus wallichiana Zucc. from the Northern Himalayan region of India,
Flavour Fragr. J., 2006, 21, 5, 772-775, https://doi.org/10.1002/ffj.1682
. [all data]
Chandravadana, Vekateshwarlu, et al., 2005
Chandravadana, M.V.; Vekateshwarlu, G.; Bujji Babu, C.S.; Roy, T.K.; Shivashankara, K.S.; Pandey, M.; Tewari, R.P.; Selvaraj, Y.,
Volatile flavour components of dry milky mushrooms (Calocybe indica),
Flavour Fragr. J., 2005, 20, 6, 715-717, https://doi.org/10.1002/ffj.1653
. [all data]
Riu-Aumatell, Castellari, et al., 2004
Riu-Aumatell, M.; Castellari, M.; López-Tamames, E.; Galassi, S.; Buxaderas, S.,
Characterisation of volatile compounds of fruit juices and nectars by HS/SPME and GC/MS,
Food Chem., 2004, 87, 4, 627-637, https://doi.org/10.1016/j.foodchem.2003.12.033
. [all data]
Nagarajan, Rao, et al., 2001
Nagarajan, S.; Rao, L.J.M.; Guirudutt, K.N.,
Chemical composition of the volatiles of Decalepis hamiltonii (Wight Arn),
Flavour Fragr. J., 2001, 16, 1, 27-29, https://doi.org/10.1002/1099-1026(200101/02)16:1<27::AID-FFJ937>3.0.CO;2-F
. [all data]
Venkateshwarlu, Chandravadana, et al., 1999
Venkateshwarlu, G.; Chandravadana, M.V.; Tewari, R.P.,
Volatile flavour components of some edible mushrooms (Basidiomycetes),
Flavour Fragr. J., 1999, 14, 3, 191-194, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<191::AID-FFJ810>3.0.CO;2-7
. [all data]
Wong and Teng, 1994
Wong, K.C.; Teng, Y.E.,
Volatile Components of Mimusops elengi L. Flowers,
J. Essent. Oil Res., 1994, 6, 5, 453-458, https://doi.org/10.1080/10412905.1994.9698425
. [all data]
Wong and Tie, 1993
Wong, K.C.; Tie, D.Y.,
The Essential Oil of the Leaves of Murraya koenigii Spreng.,
J. Essent. Oil Res., 1993, 5, 4, 371-374, https://doi.org/10.1080/10412905.1993.9698245
. [all data]
Shimoda and Shibamoto, 1990
Shimoda, M.; Shibamoto, T.,
Isolation and identification of headspace volatiles from brewed coffee with an on-column GC/MS method,
J. Agric. Food Chem., 1990, 38, 3, 802-804, https://doi.org/10.1021/jf00093a045
. [all data]
Tatsuka, Suekane, et al., 1990
Tatsuka, K.; Suekane, S.; Sakai, Y.; Sumitani, H.,
Volatile constituents of kiwi fruit flowers: simultaneous distillation and extraction versus headspace sampling,
J. Agric. Food Chem., 1990, 38, 12, 2176-2180, https://doi.org/10.1021/jf00102a015
. [all data]
Nishimura, Yamaguchi, et al., 1989
Nishimura, O.; Yamaguchi, K.; Mihara, S.; Shibamoto, T.,
Volatile Constituents of Guava Fruits (Psidium guajava L.) and Canned Puree,
J. Agric. Food Chem., 1989, 37, 1, 139-142, https://doi.org/10.1021/jf00085a033
. [all data]
Umano and Shibamoto, 1987
Umano, K.; Shibamoto, T.,
Analysis of headspace volatiles from overheated beef fat,
J. Agric. Food Chem., 1987, 35, 1, 14-18, https://doi.org/10.1021/jf00073a004
. [all data]
Gaydou, Randriamiharisoa, et al., 1986
Gaydou, E.M.; Randriamiharisoa, R.; Bianchini, J.-P.,
Composition of the essential oil of ylang-ylang (Canaga odorata Hook Fil. et Thomson forma genuina) from Madagascar,
J. Agric. Food Chem., 1986, 34, 3, 481-487, https://doi.org/10.1021/jf00069a028
. [all data]
Umano, Shoji, et al., 1986
Umano, K.; Shoji, A.; Hagi, Y.; Shibamoto, T.,
Volatile constituents of peel of quince fruit, Cydonia oblonga Miller,
J. Agric. Food Chem., 1986, 34, 4, 593-596, https://doi.org/10.1021/jf00070a003
. [all data]
Galt and MacLeod, 1984
Galt, A.M.; MacLeod, G.,
Headspace sampling of cooked beef aroma using Tenax GC,
J. Agric. Food Chem., 1984, 32, 1, 59-64, https://doi.org/10.1021/jf00121a016
. [all data]
MacLeod and Pieris, 1983
MacLeod, A.J.; Pieris, N.M.,
Volatile components of papaya (Carica papaya L.) with particular reference to glucosinolate products,
J. Agric. Food Chem., 1983, 31, 5, 1005-1008, https://doi.org/10.1021/jf00119a021
. [all data]
Buttery, Kamm, et al., 1982
Buttery, R.G.; Kamm, J.A.; Ling, L.C.,
Volatile components of alfalfa flowers and pods,
J. Agric. Food Chem., 1982, 30, 4, 739-742, https://doi.org/10.1021/jf00112a028
. [all data]
Buttery, Ling, et al., 1982
Buttery, R.G.; Ling, L.C.; Wellso, S.G.,
Oat leaf volatiles: possible insect attractants,
J. Agric. Food Chem., 1982, 30, 4, 791-792, https://doi.org/10.1021/jf00112a045
. [all data]
Buttery, Seifert, et al., 1982
Buttery, R.G.; Seifert, R.M.; Ling, L.C.; Soderstrom, E.L.; Ogawa, J.M.; Turnbaugh, J.G.,
Additional aroma components of honeydew melon,
J. Agric. Food Chem., 1982, 30, 6, 1208-1211, https://doi.org/10.1021/jf00114a051
. [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]
Spencer, Pangborn, et al., 1978
Spencer, M.D.; Pangborn, R.M.; Jennings, W.G.,
Gas chromatographic and sensory analysis of volatiles from cling peaches,
J. Agric. Food Chem., 1978, 26, 3, 725-732, https://doi.org/10.1021/jf60217a052
. [all data]
Tressl, Friese, et al., 1978
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H.,
Gas chromatographic--mass spectrometric investigation of hop aroma constituents in beer,
J. Agric. Food Chem., 1978, 26, 6, 1422-1426, https://doi.org/10.1021/jf60220a037
. [all data]
Tressl, Friese, et al., 1978, 2
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H.,
Studies of the volatile composition of hops during storage,
J. Agric. Food Chem., 1978, 26, 6, 1426-1430, https://doi.org/10.1021/jf60220a036
. [all data]
Notes
Go To: Top, Kovats' 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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