1-Octanol

Formula: C₈H₁₈O
Molecular weight: 130.2279
IUPAC Standard InChI: InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
IUPAC Standard InChIKey: KBPLFHHGFOOTCA-UHFFFAOYSA-N
CAS Registry Number: 111-87-5
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: Octyl alcohol; n-Octan-1-ol; n-Octanol; n-Octyl alcohol; Alfol 8; Caprylic alcohol; Heptyl carbinol; Octanol; Octilin; Sipol L8; Alcohol C-8; n-Heptyl carbinol; Octan-1-ol; Prim-n-octyl alcohol; Octanol-(1); Dytol M-83; Lorol 20; Octyl alcohol, normal-primary; Primary octyl alcohol; Epal 8; 1-Hydroxyoctane; Emery 3322; Emery 3324; Lorol C 8-98; 1-Octyl alcohol; NSC 9823
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Van Den Dool and Kratz RI, polar column, temperature ramp

Go To: Top, References, Notes

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	DB-Wax	DB-Wax	ZB-Wax
Column length (m)	60.	30.	30.	30.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.32	0.32
Phase thickness (μm)	0.25	0.5	0.5	0.5	0.25
T_start (C)	40.	40.	40.	40.	40.
T_end (C)	200.	240.	250.	240.	250.
Heat rate (K/min)	4.	7.	4.	7.	5.
Initial hold (min)	1.		5.		2.
Final hold (min)	10.	5.	15.	5.	5.
I	1546.	1560.	1569.	1573.	1556.
Reference	Cho I.H., Lee S.M., et al., 2007	Mahattanatawee K., Perez-Cacho P.R., et al., 2007	Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007	Ruiz Perez-Cacho, Mahattanatawee, et al., 2007	Wu, Zorn, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	ZB-Wax	DB-Wax Etr	DB-Wax	DB-Wax	DB-Wax
Column length (m)	30.	30.	60.	60.	60.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	40.	40.	40.	40.
T_end (C)	250.	250.	200.	200.	200.
Heat rate (K/min)	5.	5.	4.	4.	4.
Initial hold (min)	2.	3.	1.	1.	1.
Final hold (min)	5.	15.	10.	10.	10.
I	1557.	1561.	1561.	1566.	1546.
Reference	Wu, Zorn, et al., 2007	Aubert C. and Pitrat M., 2006	Cho, Choi, et al., 2006	Cho, Choi, et al., 2006	Cho, Kim, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	CP-Wax 52CB	DB-Wax	DB-Wax
Column length (m)	30.	60.	60.	30.	30.
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	0.25	0.5	0.25
T_start (C)	50.	40.	40.	50.	40.
T_end (C)	230.	265.	250.	260.	250.
Heat rate (K/min)	10.	7.	4.	4.	3.
Initial hold (min)	5.
Final hold (min)	25.	5.		5.	20.
I	1558.	1563.	1552.	1540.	1537.
Reference	Fernandez-Segovia, Escriche, et al., 2006	Gurbuz O., Rouseff J.M., et al., 2006	Kourkoutas, Elmore, et al., 2006	Selli, Rannou, et al., 2006	Berlinet, Ducruet, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-351	DB-Wax	Supelcowax-10	BP-20	DB-Wax
Column length (m)	50.	60.	60.	50.	60.
Carrier gas	He	N2	He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.22	0.32
Phase thickness (μm)	0.2	0.25	0.25	0.25	1.
T_start (C)	60.	70.	40.	60.	45.
T_end (C)	220.	230.	280.	220.	250.
Heat rate (K/min)	5.	2.	4.	2.	5.
Initial hold (min)		2.	2.		1.
Final hold (min)		20.		20.	12.
I	1520.	1566.	1553.	1550.	1565.
Reference	Bonvehí, 2005	Choi, 2005	Elmore, Nisyrios, et al., 2005	Ferrari, Tomi, et al., 2005	Malliaa, Fernandez-Garcia, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Innowax	Supelcowax-10	Supelcowax-10	Carbowax 20M	ZB-Wax
Column length (m)	30.	30.	60.	60.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.2	0.25	0.25
T_start (C)	40.	60.	60.	45.	40.
T_end (C)	200.	240.	200.	250.	250.
Heat rate (K/min)	5.	3.	2.	2.	5.
Initial hold (min)	5.	5.		0.17	2.
Final hold (min)	2.	10.	10.		5.
I	1559.	1553.	1507.	1538.	1555.
Reference	Pena, Barciela, et al., 2005	Riu-Aumatell, Lopez-Tamames, et al., 2005	Smadja, Rondeau, et al., 2005	Verzera, Campisi, et al., 2005	Wu, Zorn, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	ZB-Wax	DB-Wax	DB-Wax	DB-Wax	Innowax
Column length (m)	30.	30.	30.	30.	15.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.15	0.5	0.25	0.25	0.25
T_start (C)	35.	40.	40.	40.	35.
T_end (C)	220.	240.	240.	250.	225.
Heat rate (K/min)	1.8	5.	6.	3.	4.
Initial hold (min)	10.	5.	10.		5.
Final hold (min)	10.		25.	20.	20.
I	1559.	1566.	1545.	1534.	1569.
Reference	Ledauphin, Saint-Clair, et al., 2004	Rega, Fournier, et al., 2004	Varming, Andersen, et al., 2004	Brat, Rega, et al., 2003	Chisholm, Jell, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	AT-Wax	DB-Wax	HP-Innowax
Column length (m)	60.	30.	60.	30.	30.
Carrier gas	N2		He		He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.32	0.25
Phase thickness (μm)	0.25	0.5	0.25	0.5	0.5
T_start (C)	70.	40.	65.	35.	60.
T_end (C)	230.	240.	250.	240.	260.
Heat rate (K/min)	2.	7.	2.	5.	3.
Initial hold (min)	2.		10.	5.
Final hold (min)	20.	5.	60.	5.
I	1566.	1565.	1544.	1566.	1558.
Reference	Choi, 2003	Högnadóttir and Rouseff, 2003	Pino, Almora, et al., 2003	Rega, Fournier, et al., 2003	Skaltsa, Demetzos, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	Megawax	ZB-Wax	Supelcowax-10	DB-Wax
Column length (m)	30.	30.	60.	60.	60.
Carrier gas		He	He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.32	0.25	0.32
Phase thickness (μm)	0.5	0.25	0.25	0.25	0.5
T_start (C)	40.	40.	40.	35.	67.
T_end (C)	240.	220.	220.	195.	235.
Heat rate (K/min)	7.	2.	3.	2.	2.7
Initial hold (min)		6.		5.
Final hold (min)	5.	10.		90.	30.
I	1557.	1546.	1546.	1559.	1584.
Reference	Valim, Rouseff, et al., 2003	Verzera, Trozzi, et al., 2003	Brunton, Cronin, et al., 2002	Chung, Yung, et al., 2002	Claudela, Dirningera, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	AT-Wax	Supelcowax-10	DB-Wax	AT-Wax	AT-Wax
Column length (m)	60.	60.	30.	60.	60.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.32	0.32	0.32
Phase thickness (μm)	0.25	0.25	0.50	0.25	0.25
T_start (C)	65.	35.	40.	65.	65.
T_end (C)	250.	195.	240.	250.	250.
Heat rate (K/min)	2.	2.	7.	2.	2.
Initial hold (min)	10.	5.		10.	10.
Final hold (min)	60.	90.	5.	60.	60.
I	1544.	1559.	1558.	1551.	1544.
Reference	Pino, Marbot, et al., 2002	Chung, Yung, et al., 2001	Lin and Rouseff, 2001	Pino and Marbot, 2001	Pino, Marbot, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP-Wax 52CB	CP-Wax 52CB	CP-Wax 52CB	DB-Wax	CP-Wax 52CB
Column length (m)	60.	25.	50.	60.	50.
Carrier gas	He			N2	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.15		0.25	0.2
T_start (C)	45.	40.	60.	70.	30.
T_end (C)	250.	220.	220.	230.	220.
Heat rate (K/min)	2.	3.	4.	2.	2.
Initial hold (min)	0.17	5.	5.	2.	1.3
Final hold (min)			30.	20.
I	1538.	1589.	1555.	1562.	1540.
Reference	Verzera, Campisi, et al., 2001	Chagonda, Makanda, et al., 2000	Chevance, Farmer, et al., 2000	Choi and Sawamura, 2000	Jensen, Christensen, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Supelcowax-10	DB-Wax	HP-Wax	Megawax	DB-Wax
Column length (m)	30.	60.	15.	30.	30.
Carrier gas	He	He	He	He	H2
Substrate
Column diameter (mm)	0.32	0.32	0.53	0.25	0.25
Phase thickness (μm)	0.25	0.5	1.	0.25	0.25
T_start (C)	75.	40.	40.	40.	60.
T_end (C)	200.	250.	220.	220.	220.
Heat rate (K/min)	2.5	4.	5.	2.	2.
Initial hold (min)		2.	3.	6.	3.
Final hold (min)		10.	30.	10.
I	1558.	1566.	1578.	1546.	1559.
Reference	Lazari, Skaltsa, et al., 2000	Le Guen, Prost, et al., 2000	Peng, 2000	Verzera, Trozzi, et al., 2000	Chassagne, Boulanger, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP-Wax 52CB	Supelcowax-10	BP-20	Innowax	DB-Wax
Column length (m)	50.	60.	50.	60.	30.
Carrier gas		He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.22	0.25	0.32
Phase thickness (μm)		0.25	0.25	0.25	0.25
T_start (C)	60.	35.	60.	50.	40.
T_end (C)	220.	195.	230.	180.	200.
Heat rate (K/min)	4.	2.	2.	2.5	6.
Initial hold (min)	5.	5.		5.	5.
Final hold (min)	30.	90.	35.		30.
I	1549.	1560.	1551.	1520.	1537.
Reference	Chevance and Farmer, 1999	Chung, 1999	Lota, Serra, et al., 1999	Stashenko, Cervantes, et al., 1999	Cha and Cadwallader, 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	DB-Wax	DB-Wax	PEG-20M
Column length (m)	60.	60.	30.	30.	60.
Carrier gas			N2	N2	He
Substrate
Column diameter (mm)	0.25	0.32	0.53	0.53	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	40.	40.	50.	50.
T_end (C)	200.	200.	200.	200.	230.
Heat rate (K/min)	3.	2.	2.	2.	2.
Initial hold (min)	5.
Final hold (min)	60.		40.		60.
I	1555.	1579.	1579.	1579.	1562.
Reference	Cha, Kim, et al., 1998	Mau, Lin, et al., 1998	Mau, Chyau, et al., 1997	Mau and Hwang, 1997	Shimoda, Nakada, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP-Wax 52CB	DB-Wax	Carbowax 20M	DB-Wax	DB-Wax
Column length (m)	50.	60.	60.	60.	60.
Carrier gas	H2	He	He		He
Substrate
Column diameter (mm)	0.23	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.12	0.25	0.425	0.25	0.25
T_start (C)	50.	50.	45.	50.	50.
T_end (C)	200.	230.	300.	230.	230.
Heat rate (K/min)	1.5	2.	3.	2.	2.
Initial hold (min)	10.		3.
Final hold (min)	10.	60.	20.
I	1573.	1562.	1541.	1554.	1554.
Reference	Chyau, Mau, et al., 1996	Shimoda, Shiratsuchi, et al., 1996	Mondello, Dugo, et al., 1995	Shimoda, Shigematsu, et al., 1995	Shimoda, Shigematsu, et al., 1995, 2
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	HP-20M	HP-FFAP	DB-Wax
Column length (m)	60.	60.	50.	50.	30.
Carrier gas		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			0.25
T_start (C)	50.	50.	60.	60.	50.
T_end (C)	230.	230.	190.	210.	220.
Heat rate (K/min)	2.	2.	3.	3.	4.
Initial hold (min)					3.
Final hold (min)	60.	60.			20.
I	1565.	1565.	1530.	1567.	1550.
Reference	Shiratsuchi, Shimoda, et al., 1994	Shiratsuchi, Shimoda, et al., 1994, 2	Chung, Eiserich, et al., 1993	Chung, Eiserich, et al., 1993	Humpf and Schreier, 1991
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP-Wax 58CB	DB-Wax	DB-Wax	DB-Wax	Supelcowax-10
Column length (m)	30.	30.	30.	30.	60.
Carrier gas	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.22	0.25	0.25	0.25	0.25
T_start (C)	40.	40.	50.	50.	40.
T_end (C)	220.	220.	250.	250.	175.
Heat rate (K/min)	3.	5.	4.	4.	2.
Initial hold (min)		3.	3.	3.	5.
Final hold (min)					20.
I	1538.	1550.	1550.	1550.	1562.
Reference	Pabst, Barron, et al., 1991	Frohlich and Schreier, 1990	Fröhlich, Duque, et al., 1989	Fröhlich, Duque, et al., 1989	Tanchotikul and Hsieh, 1989
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Supelcowax-10	Carbowax 20M	CP-WAX 57CB	Supelcowax-10	Supelcowax-10
Column length (m)	60.	60.	50.	60.	60.
Carrier gas		He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.25	0.25
Phase thickness (μm)	0.25			0.25	0.25
T_start (C)	40.	50.	60.	40.	40.
T_end (C)	175.	225.	200.	175.	175.
Heat rate (K/min)	2.	1.5	4.	2.	2.
Initial hold (min)	5.		5.	5.	5.
Final hold (min)	20.	80.		20.	20.
I	1562.	1560.	1564.	1563.	1565.
Reference	Tanchotikul and Hsieh, 1989	Chen and Ho, 1988	Salter L.J., Mottram D.S., et al., 1988	Vejaphan, Hsieh, et al., 1988	Vejaphan, Hsieh, et al., 1988
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Packed
Active phase	Carbowax 20M	Carbowax 20M	Carbowax 20M
Column length (m)	50.
Carrier gas	He	He
Substrate			Celite 545
Column diameter (mm)	0.32
Phase thickness (μm)
T_start (C)	50.	50.	75.
T_end (C)	200.	160.	228.
Heat rate (K/min)	2.	1.	4.6
Initial hold (min)	5.	10.
Final hold (min)	40.
I	1544.	1526.	1533.
Reference	Chen, Kuo, et al., 1986	Chen, Kuo, et al., 1982	van den Dool and Kratz, 1963
Comment	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes

Cho I.H., Lee S.M., et al., 2007
Cho I.H.; Lee S.M.; Kim S.Y.; Choi H.K.; Kim K.O.; Kim Y.S., Differentiation of aroma characteristics of pine-mushrooms (Tricholoma matsutake Sing.) of different grades using gas chromatography-olfactometry and sensory analysis, J. Agric. Food Chem., 2007, 55, 6, 2323-2328, https://doi.org/10.1021/jf062702z . [all data]

Mahattanatawee K., Perez-Cacho P.R., et al., 2007
Mahattanatawee K.; Perez-Cacho P.R.; Davenport T.; Rouseff R., Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection, J. Agric. Food Chem., 2007, 55, 5, 1939-1944, https://doi.org/10.1021/jf062925p . [all data]

Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N., Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes, J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y . [all data]

Ruiz Perez-Cacho, Mahattanatawee, et al., 2007
Ruiz Perez-Cacho, P.; Mahattanatawee, K.; Smoot, J.M.; Rouseff, R., Identification of Sulfur Volatiles in Canned Orange Juices Lacking Orange Flavor, J. Agric. Food Chem., 2007, 55, 14, 5761-5767, https://doi.org/10.1021/jf0703856 . [all data]

Wu, Zorn, et al., 2007
Wu, S.; Zorn, H.; Krings, U.; Berger, R.G., Volatiles from submerged and surface-cultured beefsteak fungus, Fistulina hepatica, Flavour Fragr. J., 2007, 22, 1, 53-60, https://doi.org/10.1002/ffj.1758 . [all data]

Aubert C. and Pitrat M., 2006
Aubert C.; Pitrat M., Volatile compounds in the skin and pulp of Queen Anne's pocket melon, J. Agric. Food Chem., 2006, 54, 21, 8177-8182, https://doi.org/10.1021/jf061415s . [all data]

Cho, Choi, et al., 2006
Cho, I.H.; Choi, H.-K.; Kim, Y.-S., Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades, J. Agric. Food Chem., 2006, 54, 13, 4820-4825, https://doi.org/10.1021/jf0601416 . [all data]

Cho, Kim, et al., 2006
Cho, I.H.; Kim, S.Y.; Choi, H.-K.; Kim, Y.-S., Characterization of Aroma-Active Compounds in Raw and Cooked Pine-Mushrooms (Tricholoma matsutake Sing.), J. Agric. Food Chem., 2006, 54, 17, 6332-6335, https://doi.org/10.1021/jf060824l . [all data]

Fernandez-Segovia, Escriche, et al., 2006
Fernandez-Segovia, I.; Escriche, I.; Gomez-Sintes, M.; Fuentes, A.; Serra, J.A., In?uence of di?erent preservation treatments on the volatile fraction of desalted cod, Food Chem., 2006, 98, 3, 473-482, https://doi.org/10.1016/j.foodchem.2005.06.021 . [all data]

Gurbuz O., Rouseff J.M., et al., 2006
Gurbuz O.; Rouseff J.M.; Rouseff R.L., Comparison of aroma volatiles in commercial Merlot and Cabernet Sauvignon wines using gas chromatography - Olfactometry and gas chromatography - Mass spectrometry, J. Agric. Food Chem., 2006, 54, 11, 3990-3996, https://doi.org/10.1021/jf053278p . [all data]

Kourkoutas, Elmore, et al., 2006
Kourkoutas, D.; Elmore, J.S.; Mottram, D.S., Comparison of the volatile compositions and flavour properties of cantaloupe, Galia and honeydew muskmelons, Food Chem., 2006, 97, 1, 95-102, https://doi.org/10.1016/j.foodchem.2005.03.026 . [all data]

Selli, Rannou, et al., 2006
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Notes

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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