Acetic acid, cinnamyl ester
- Formula: C11H12O2
- Molecular weight: 176.2118
- IUPAC Standard InChI: InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3
- IUPAC Standard InChIKey: WJSDHUCWMSHDCR-UHFFFAOYSA-N
- CAS Registry Number: 103-54-8
- 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. - Stereoisomers:
- Other names: 2-Propen-1-ol, 3-phenyl-, acetate; Cinnamyl alcohol, acetate; γ-Phenylallyl acetate; Cinnamyl acetate; 3-Phenyl-2-propenyl acetate; 3-Phenyl-2-propen-1-yl acetate; 3-Phenyl-2-propen-1-ol acetate; 1-Acetoxy-3-phenyl-2-propene; 2-Propen-1-ol, 3-phenyl-, 1-acetate; 3-Phenylallyl acetate; NSC 46109
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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Phase change data
Go To: Top, Gas Chromatography, 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: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 538.2 | K | N/A | Aldrich Chemical Company Inc., 1990 |
Gas Chromatography
Go To: Top, Phase change data, 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 150. | 1413. | Tudor and Moldovan, 1999 | |
| Capillary | SE-30 | 100. | 1413.2 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 1440. | Jayaprakasha, Rao, et al., 2000 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 225. C @ 5. min |
| Capillary | OV-101 | 1419. | Gaydou, Randriamiharisoa, et al., 1986 | 100. m/0.3 mm/0.15 μm, H2, 2. K/min; Tstart: 90. C; Tend: 220. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1445. | Sibanda, Chigwada, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Carbowax 20M | 180. | 2176. | Tudor, Moldovan, et al., 1999 | Phase thickness: 0.45 μm |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 2100. | Nishimura, Yamaguchi, et al., 1989 | 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | Carbowax 20M | 2100. | Gaydou, Randriamiharisoa, et al., 1986 | 50. m/0.3 mm/0.15 μm, H2, 2. K/min; Tstart: 70. C; Tend: 210. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1408. | Gonny, Cavaleiro, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | HP-1 | 1408. | Nath, Baruah, et al., 2006 | 25. m/0.2 mm/0.33 μm, He, 60. C @ 3. min, 5. K/min, 300. C @ 30. min |
| Capillary | HP-5 | 1455. | Shalit, Katzir, et al., 2001 | He, 50. C @ 1. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
| Capillary | DB-1 | 1430. | Stashenko, Prada, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3.5 K/min; Tend: 250. C |
| Capillary | DB-5 | 1440. | Vahirua-Lechat, Menut, et al., 1996 | He, 2. K/min, 200. C @ 30. min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 80. C |
| Packed | SE-30 | 1422. | van den Dool and Kratz, 1963 | Celite; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1439. | Carasek and Pawliszyn, 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C |
| Capillary | SE-52 | 1446. | Sacchetti, Guerrini, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C(10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax Etr | 2153. | Aubert C. and Pitrat M., 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | BP-20 | 2151. | Gonny, Cavaleiro, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-Wax | 2150. | Brophy, Goldsack, et al., 2000 | 60. m/0.53 mm/1.0 μm, He, 3. K/min; Tstart: 50. C; Tend: 220. C |
| Capillary | DB-Wax | 2156. | Möllenbeck, König, et al., 1997 | 25. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C |
| Capillary | DB-Wax | 2167. | Stashenko, Prada, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; Tend: 180. C |
| Packed | Carbowax 20M | 2125. | van den Dool and Kratz, 1963 | Celite 545, 4.6 K/min; Tstart: 75. C; Tend: 228. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1446. | Cheng, Liu, et al., 2008 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2. K/min; Tend: 250. C |
| Capillary | FSOT-RSL-200 | 1444. | Schmidt, Jirovetz, et al., 2006 | 30. m/0.32 mm/0.25 μm, Hydrogen, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | DB-5 | 1440. | Chagonda and Chalchat, 2005 | 50. m/0.3 mm/0.25 μm, 2. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | ZB-5 | 1454. | Dötterl, Wolfe, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 7. min, 6. K/min, 250. C @ 1. min |
| Capillary | HP-1 | 1406. | Fernandez, Lizzani-Cuvelier, et al., 2005 | 50. m/0.2 mm/0.25 μm, 60. C @ 60. min, 2. K/min; Tend: 250. C |
| Capillary | SPB-1 | 1411. | Wong, Lee, et al., 2005 | 50. m/0.2 mm/0.33 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min |
| Capillary | CP Sil 8 CB | 1453. | Wang, Guo, et al., 2004 | 30. m/0.32 mm/0.25 μm, 50. C @ 5. min, 5. K/min; Tend: 200. C |
| Capillary | DB-5 | 1441. | Caredda, Marongiu, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
| Capillary | DB-1 | 1418. | Stashenko, Torres, et al., 1995 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3.5 K/min; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1419. | Vinogradov, 2004 | Program: not specified |
| Capillary | OV-101 | 1419. | Shibamoto, 1987 | Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1422. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-FFAP | 2142. | Osorio, Carriazo, et al., 2011 | 30. m/0.32 mm/0.25 μm, Helium, 50. C @ 4. min, 4. K/min, 250. C @ 5. min |
| Capillary | DB-Wax | 2197. | Wei A. and Shibamoto T., 2007 | 60. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 3. K/min, 180. C @ 80. min |
| Capillary | Carbowax 20M | 2098. | Fernandez, Lizzani-Cuvelier, et al., 2005 | 50. m/0.2 mm/0.25 μm, 60. C @ 60. min, 2. K/min; Tend: 250. C |
| Capillary | DB-Wax | 2145. | Jiang and Kubota, 2004 | He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
| Capillary | DB-Wax | 2145. | Jiang and Kubota, 2004 | He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
| Capillary | DB-Wax | 2150. | Paniandy, Chane-Ming, et al., 2000 | 60. m/0.32 mm/0.25 μm, Helium, 50. C @ 2. min, 5. K/min; Tend: 230. C |
| Capillary | DB-Wax | 2102. | Stashenko, Torres, et al., 1995 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; Tend: 180. C |
| Capillary | CP-Wax 52CB | 2156.6 | Chyau, Chen, et al., 1992 | 50. m/0.32 mm/0.22 μm, H2, 50. C @ 5. min, 2. K/min; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax FSC | 2174. | Tabanca, Demirci, et al., 2006 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C => (10min) => 1C/min => 240C |
| Capillary | Carbowax 20M | 2103. | Vinogradov, 2004 | Program: not specified |
| Capillary | Carbowax 20M | 2103. | Shibamoto, 1987 | Program: not specified |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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