Octadecanoic acid

Formula: C₁₈H₃₆O₂
Molecular weight: 284.4772
IUPAC Standard InChI: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
IUPAC Standard InChIKey: QIQXTHQIDYTFRH-UHFFFAOYSA-N
CAS Registry Number: 57-11-4
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Stearic acid; n-Octadecanoic acid; Humko Industrene R; Hydrofol Acid 150; Hystrene S-97; Hystrene T-70; Hystrene 80; Industrene R; Kam 1000; Kam 2000; Kam 3000; Neo-Fat 18; Neo-Fat 18-53; Neo-Fat 18-54; Neo-Fat 18-55; Neo-Fat 18-59; NAA 173; PD 185; Stearex Beads; Stearophanic acid; Steric acid; Vanicol; 1-Heptadecanecarboxylic acid; Heptadecanecarboxylic acid; Neo-fat 18-61; Pearl stearic; Century 1240; Dar-chem 14; Emersol 120; Emersol 132; Emersol 150; Formula 300; Glycon DP; Glycon TP; Glycon S-70; Glycon S-80; Glycon S-90; Groco 54; Groco 55; Groco 55L; Groco 58; Groco 59; Hy-phi 1199; Hy-phi 1205; Hy-phi 1303; Hy-phi 1401; Hydrofol acid 1655; Hydrofol acid 1855; Hydrofol 1895; Hystrene 4516; Hystrene 5016; Hystrene 7018; Hystrene 9718; Industrene 5016; Neo-Fat 18-S; Tegostearic 254; Tegostearic 255; Tegostearic 272; Cetylacetic acid; Industrene 8718; Industrene 9018; Barolub FTA; Loxiol G 20; Lunac S 20; Emersol 153; Century 1210; Century 1220; Century 1230; Emersol 6349; Hystrene 7018 FG; Hystrene 9718 NF FG; Industrene 4518; Industrene 7018 FG; n-Octadecylic acid; Pristerene 4904; Promulsin; Proviscol wax; Stearex; Tsubaki; Vis-Plus; Prifac 2918; Adeka Fatty Acid SA 910; Century 1224; Edenor C18; Hydrofol Acid 1895; Kiri stearic acid; Lunac S 40; SA 400 (fatty acid); WO 2 (fatty acid); Octadecanoic acid (stearic acid); Emersol 110 (Salt/Mix); Emery 400 (Salt/Mix)
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Options:
- Switch to calorie-based units

Data at NIST subscription sites:

NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Normal alkane RI, non-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	HP-5 MS	HP-5 MS	DB-5 MS	HP-5 MS	DB-1
Column length (m)	30.	30.	30.	30.	30.
Carrier gas			Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	70.	70.	50.
T_end (C)	300.	300.	290.	290.	220.
Heat rate (K/min)	15.	15.	5.	5.	4.
Initial hold (min)	2.	2.			2.
Final hold (min)	10.	10.	10.	10.	2.
I	2177.	2177.	2159.	2161.	2143.
Reference	Xu, Han, et al., 2012	Xu, Han, et al., 2012	Stojanovic, RAdulovic, et al., 2011	Radulovic, Dordevic, et al., 2010	Xu, Tang, et al., 2010
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-1	HP-5 MS	HP-1	HP-5 MS	HP-5 MS
Column length (m)	30.	30.	25.	30.	30.
Carrier gas	Helium	Helium		Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.17	0.25	0.25
T_start (C)	40.	70.	50.	60.	60.
T_end (C)	300.	290.	260.	300.	300.
Heat rate (K/min)	4.	5.	1.	15.	15.
Initial hold (min)	2.		5.	2.	2.
Final hold (min)	10.	10.	5.	10.	10.
I	2153.	2163.	2137.	2177.	2177.
Reference	Nibret and Wink, 2009	Radulovic, Blagojevic, et al., 2009	Wetwiayaklung, Thavanapong, et al., 2009	Xu, Han, et al., 2009	Xu, Han, et al., 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	PE-5	DB-5	HP-5	SPB-5	DB-5
Column length (m)	50.	30.	60.	30.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	100.	40.	30.	60.	40.
T_end (C)	280.	260.	260.	250.	260.
Heat rate (K/min)	3.	2.	2.	4.	2.
Initial hold (min)	1.	5.	2.	2.	5.
Final hold (min)		20.	28.	20.	20.
I	2173.	2169.	2167.5	2180.	2169.
Reference	Pandey-Rai S., Mallavarapu G.R., et al., 2006	Senatore, Landolfi, et al., 2006	Leffingwell and Alford, 2005	Pino, Marbot, et al., 2005	Senatore, Apostolides Arnold, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5	HP-5	HP-5	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.32	0.32
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.	250.	250.	250.
Heat rate (K/min)	5.	5.	5.	5.	5.
Initial hold (min)	2.	2.	2.	2.	2.
Final hold (min)	5.	5.	5.	5.	5.
I	2157.	2158.	2160.	2162.	2181.
Reference	N/A	N/A	N/A	N/A	N/A
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	SPB-5	DB-5	Methyl Silicone
Column length (m)	25.	30.	30.	30.	50.
Carrier gas	Nitrogen	H2	Helium	He	H2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.5
T_start (C)	60.	60.	60.	60.	40.
T_end (C)	240.	280.	250.	270.	260.
Heat rate (K/min)	3.	4.	4.	3.	4.
Initial hold (min)		10.	2.		0.5
Final hold (min)		40.	20.
I	2178.	2172.	2180.	2170.	2137.
Reference	JAvidnia, Mojab, et al., 2004	Pino, Marbot, et al., 2003	Pino, Marbot, et al., 2002	Palmeira, Conserva, et al., 2001	Vendramini and Trugo, 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-1	DB-5MS	Cross-Linked Methylsilicone	Ultra-1	SE-54
Column length (m)	25.	30.	25.	25.	25.
Carrier gas	H2	He	He	He	N2
Substrate
Column diameter (mm)	0.32	0.25	0.32	0.32	0.25
Phase thickness (μm)	0.17	0.25		0.25
T_start (C)	40.	60.	35.	80.	60.
T_end (C)	260.	240.	225.	260.	260.
Heat rate (K/min)	3.	3.	4.	3.	6.
Initial hold (min)	5.		3.		2.
Final hold (min)
I	2152.	2168.	2142.	2155.	2178.
Reference	Lopes, Koketsu, et al., 1999	Zoghbi, Andrade, et al., 1999	Bravo and Hotchkiss, 1993	Okumura, 1991	Bestmann, Classen, et al., 1988
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

Xu, Han, et al., 2012
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K., Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus, 2012, retrieved from http://www.thefreelibrary.com/Comparative .... [all data]

Stojanovic, RAdulovic, et al., 2011
Stojanovic, I.Z.; RAdulovic, N.S.; Mitrovic, Y.L.J.; Stamenkovic, S.M.; Stojanovic, G.S., Volatile constituents of selected Parmeliaceae lichens, J. Serb. Chem. Soc., 2011, 76, 7, 987-994, https://doi.org/10.2298/JSC101004087S . [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R., Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae), Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962 . [all data]

Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y., Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods, Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h . [all data]

Nibret and Wink, 2009
Nibret, E.; Wink, M., Volatile components of four Ethiopian Artemisia species extracts and their in vitro antipatrypanosomal and cytotoxic activities, Phytomedicine, 2009, 00, 0, 000-000. [all data]

Radulovic, Blagojevic, et al., 2009
Radulovic, N.S.; Blagojevic, P.D.; Palic, R.M.; Zlatkovic, B.K.; Stevanovic, B.M., Volatiles from vegetative organs of the paleoendemic resurrection plants Ramonda serbica Panc. and Ramonda nathaliae Panc. at Petrov, J. Serb. Chem. Soc., 2009, 74, 1, 35-44, https://doi.org/10.2298/JSC0901035R . [all data]

Wetwiayaklung, Thavanapong, et al., 2009
Wetwiayaklung, P.; Thavanapong, N.; Charoenteeraboon, J., Chemical constituents and antimicrobial activity os essential oil and extracts of heartwood of Aquilaria crassna obtained from water distillation and supercritical fluid carbon dioxide extraction, Silpakorn U Sci. J., 2009, 3, 1, 25-33. [all data]

Xu, Han, et al., 2009
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K., Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus, Phytomedicine: Int. J. Phytotherapy Phytopharmacology, 2009, 16, 6-7, 609-616, https://doi.org/10.1016/j.phymed.2009.03.014 . [all data]

Pandey-Rai S., Mallavarapu G.R., et al., 2006
Pandey-Rai S.; Mallavarapu G.R.; Naqvi A.A.; Yadav A.; Rai S.K.; Srivastava S.; Singh D.; Mishra R.; Kumar S., Volatile components of leaves and flowers of periwinkle Catharanthus roseus (L.) G. Don from New Delhi, Flavour Fragr. J., 2006, 21, 3, 427-430, https://doi.org/10.1002/ffj.1606 . [all data]

Senatore, Landolfi, et al., 2006
Senatore, F.; Landolfi, S.; Celik, S.; Bruno, M., Volatile components of Centaurea calcitrapa L. and Centaurea sphaerocephala L. ssp. sphaerocephala, two Asteraceae growing wild in Sicily, Flavour Fragr. J., 2006, 21, 2, 282-285, https://doi.org/10.1002/ffj.1585 . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of genipap (Genipa americana L.) fruit from Cuba, Flavour Fragr. J., 2005, 20, 6, 583-586, https://doi.org/10.1002/ffj.1491 . [all data]

Senatore, Apostolides Arnold, et al., 2005
Senatore, F.; Apostolides Arnold, N.; Bruno, M., Volatile components of Centaurea eryngioides Lam. and Centaurea liberica Trev. var. hermonis Boiss. Lam., two Asteraceae growing wild in Lebanon, Nat. Prod. Res., 2005, 19, 8, 749-754, https://doi.org/10.1080/14786410412331302136 . [all data]

JAvidnia, Mojab, et al., 2004
JAvidnia, K.; Mojab, F.; Mojahedi, S.A., Chemical constituents of the essential oil of Stachys lavandulifolia Vahl from Iran, Iranian J. Pharm. Res., 2004, 3, 61-63. [all data]

Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V., Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba, J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C., Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.), Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [all data]

Palmeira, Conserva, et al., 2001
Palmeira, S.F., Jr.; Conserva, L.M.; Andrade, E.H.A.; Guilhon, G.M.S.P., Analysis by GC-MS of the hexane extract of the aerial parts of Aristolochia acutifolia Duchtr., Flavour Fragr. J., 2001, 16, 2, 85-88, https://doi.org/10.1002/1099-1026(200103/04)16:2<85::AID-FFJ948>3.0.CO;2-2 . [all data]

Vendramini and Trugo, 2000
Vendramini, A.L.; Trugo, L.C., Chemical composition of acerola fruit (Malpighia punicifolia L.) at three stages of maturity, Food Chem., 2000, 71, 2, 195-198, https://doi.org/10.1016/S0308-8146(00)00152-7 . [all data]

Lopes, Koketsu, et al., 1999
Lopes, D.; Koketsu, M.; Carauta, J.P.P.; de Oliveira, R.R.; Kaplan, M.A.C., Chemical composition of Pourouma guianensis Aublet essential oils, Flavour Fragr. J., 1999, 14, 4, 233-236, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<233::AID-FFJ813>3.0.CO;2-L . [all data]

Zoghbi, Andrade, et al., 1999
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S., Volatile constituents from leaves and flowers of Alpinia speciosa K. Schum. and A. purpurata (Viell.) Schum., Flavour Fragr. J., 1999, 14, 6, 411-414, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<411::AID-FFJ854>3.0.CO;2-U . [all data]

Bravo and Hotchkiss, 1993
Bravo, A.; Hotchkiss, J.H., Identification of volatile compounds resulting from the thermal oxidation of polyethylene, J. Appl. Polym. Sci., 1993, 47, 10, 1741-1748, https://doi.org/10.1002/app.1993.070471004 . [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]

Bestmann, Classen, et al., 1988
Bestmann, H.-J.; Classen, B.; Kobold, U.; Vostrowsky, O.; Klingauf, F.; Stein, U., Steam volatile constituents from leaves of Rhus typhina, Phytochemistry, 1988, 27, 1, 85-90, https://doi.org/10.1016/0031-9422(88)80595-8 . [all data]

Notes

Go To: Top, Normal alkane RI, non-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
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.