Benzyl isopentyl ether

Formula: C₁₂H₁₈O
Molecular weight: 178.2707
IUPAC Standard InChI: InChI=1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
IUPAC Standard InChIKey: RXXCIBALSKQCAE-UHFFFAOYSA-N
CAS Registry Number: 122-73-6
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: Benzyl isoamyl ether; Benzene, [(3-methylbutoxy)methyl]-; Ether, benzyl isopentyl; Isoamyl benzyl ether; NSC 9294; Isoamylbenzyl ester
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Other data available:
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- Mass spectrum (electron ionization)
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Gas Chromatography

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

Normal alkane RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1309.	Bos, Koulman, et al., 2002	30. m/0.249 mm/0.25 μm, He, 3. K/min, 300. C @ 5. min; T_start: 60. C
Capillary	DB-1	1309.	Koulman, 1999	25. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 50. C; T_end: 290. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 8 CB	1310.	Butkienë, Nivinskienë, et al., 2005	50. m/0.32 mm/0.25 μm, He; Program: 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min)
Capillary	CP Sil 8 CB	1310.	Nivinskienë, Butkienë, et al., 2005	50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 5C/min => 160C => 5C/min => 250C(3min)
Capillary	CP Sil 8 CB	1310.	Judpentienë and Mockutë, 2004	50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min)
Capillary	SE-30	1297.	Vinogradov, 2004	Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1668.	Vinogradov, 2004	Program: not specified

References

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Bos, Koulman, et al., 2002
Bos, R.; Koulman, A.; Woerdenbag, H.J.; Quax, W.J.; Pras, N., Volatile components from Anthriscus sylvestris (L.) Hoffm., J. Chromatogr. A, 2002, 966, 1-2, 233-238, https://doi.org/10.1016/S0021-9673(02)00704-5 . [all data]

Koulman, 1999
Koulman, A., Podophyllotoxin: a study of biosynthesis, evolution, function, and use of podophyllotoxin and related lignans, University Library Groningen, Nederlands, 1999, 188, retrieved from http://www.ub.rug.nl/eldoc/dis/science/a.koulman/. [all data]

Butkienë, Nivinskienë, et al., 2005
Butkienë, R.; Nivinskienë, O.; Mockutë, D., α-Pinene chemotype of leaf (needle) essential oils of Juniperus communis L. growing wild in Vilnius district, Chemija, 2005, 16, 1, 53-60. [all data]

Nivinskienë, Butkienë, et al., 2005
Nivinskienë, O.; Butkienë, R.; Mockutë, D., Chemical composition of seed (fruit) essential oils of Angelica archangelica L. growing wild in Lithuania, Chemija, 2005, 16, 3-4, 51-54. [all data]

Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D., Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius, Chemija, 2004, 15, 4, 64-68. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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