Phenol, 4-(2-propenyl)-, acetate

Formula: C₁₁H₁₂O₂
Molecular weight: 176.2118
IUPAC Standard InChI: InChI=1S/C11H12O2/c1-3-4-10-5-7-11(8-6-10)13-9(2)12/h3,5-8H,1,4H2,2H3
IUPAC Standard InChIKey: AXHHVVBUOKYKJO-UHFFFAOYSA-N
CAS Registry Number: 61499-22-7
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: 4-Allylphenyl acetate; Chavicol, acetate; 4-(2-Propenyl)phenyl acetate
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	OV-1	1309.	De Pooter, Omar, et al., 1985	30. m/0.5 mm/0.8 μm, He, 2. K/min; T_start: 40. C; T_end: 220. C
Capillary	OV-1	1314.	De Pooter, Omar, et al., 1985	30. m/0.5 mm/0.8 μm, He, 2. K/min; T_start: 40. C; T_end: 220. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1350.6	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	SPB-1	1322.	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	CBP-1	1315.	Ly, Yamauchi, et al., 2001	25. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 2. min, 3. K/min; T_end: 210. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	CBP-1	1309.	Ly, Yamauchi, et al., 2001	25. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	Supelcowax-10	1949.	Wong, Lee, et al., 2005	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min

References

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De Pooter, Omar, et al., 1985
De Pooter, H.L.; Omar, M.N.; Coolsaet, B.A.; Schamp, N.M., The Essential Oil of Greater Galanga (Alpinia Galanga) from Malaysia, Phytochemistry, 1985, 24, 1, 93-96, https://doi.org/10.1016/S0031-9422(00)80814-6 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Wong, Lee, et al., 2005
Wong, K.C.; Lee, B.C.; Lam, N.F.; Ibrahim, P., Essential oils of the rhizomes of Alpinia conchigera Griff. and Alpinia latilabris Ridl., Flavour Fragr. J., 2005, 20, 4, 431-433, https://doi.org/10.1002/ffj.1458 . [all data]

Ly, Yamauchi, et al., 2001
Ly, T.N.; Yamauchi, R.; KAto, K., Volatile components of the essential oils in Galanga (Alpina officinarum Hance) from Vietnam, Food Sci. Technol. Res., 2001, 7, 4, 303-306, https://doi.org/10.3136/fstr.7.303 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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