Butyl oleate
Properties
- Molecular formula
- C22H42O2
- Molar mass
- 338.58 g/mol
- Exact mass
- 338.3185 Da
- Density
- 0.8704 g/mL (at 15 °C)
- Melting point
- −26.4 °C
- Boiling point
- 228 °C (at 15 Torr)
- Flash point
- 180 °C
- logP
- 7.37Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 18
Hazards
Warning
- H315 Causes skin irritation46.8% of notifiers
- H319 Causes serious eye irritation46.8% of notifiers
- H335 May cause respiratory irritation41% of notifiers
Aggregated from 376 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
142-77-8SMILES
CCCCCCCC/C=CCCCCCCCC(=O)OCCCCInChIKey
WIBFFTLQMKKBLZ-UHFFFAOYSA-NInChI
InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 5.48 (m, J = 16.8, 6.8 Hz, 1H), 5.48 (m, J = 16.8, 6.8 Hz, 1H), 4.08 (t, J = 7.0 Hz, 2H), 2.32 (t, J = 7.0 Hz, 2H), 2.04 (q, J = 6.9 Hz, 2H), 2.04 (q, J = 6.9 Hz, 2H), 1.67 (quint, J = 7.0 Hz, 2H), 1.52 (quint, J = 7.0 Hz, 2H), 1.37 (m, J = 7.0 Hz, 2H), 1.37 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (sext, J = 7.0 Hz, 2H), 0.86 (t, J = 7.0 Hz, 3H), 0.86 (t, J = 7.0 Hz, 3H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 174.7, 130.7, 130.7, 68.0, 36.6, 33.5, 33.5, 32.5, 32.1, 30.4, 30.4, 30.4, 30.1, 30.0, 30.0, 30.0, 29.7, 25.1, 23.1, 19.3, 14.0, 13.7.[M + H]+
[M + H]+ Calcd for C22H43O2 339.3258[M + Na]+
[M + Na]+ Calcd for C22H42NaO2 361.3077[M − H]−
[M − H]− Calcd for C22H41O2 337.3112Elemental analysis
Anal. Calcd for C22H42O2: C, 78.05; H, 12.50.Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
16 names · show all
- 9-Octadecenoic acid (9Z)-, butyl ester
- Oleic acid, butyl ester
- 9-Octadecenoic acid (Z)-, butyl ester
- Hallco C 503
- Kessco 554
- Kesscoflex BO
- Wilmar butyl oleate
- Witcizer 100
- Witcizer 101
- Advaplast 42
- n-Butyl oleate
- Butyl cis-9-octadecenoate
- Plasthall 914
- Kemester 4000
- Butyl (Z)-9-octadecenoate
- Kaolube 804
Work with Butyl oleate
Similar compounds
Decyl oleate3687-46-593 % similar
Butyl laurate106-18-383 % similar
Butyl myristate110-36-183 % similar
Butyl palmitate111-06-883 % similar
Butyl stearate123-95-583 % similar
Butyl decanoate30673-36-083 % similar
Butyl octanoate589-75-383 % similar
Dibutyl sebacate109-43-379 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.