Stearyl methacrylate

C₂₂H₄₂O₂CAS 32360-05-7338.58 g/mol

Open in Covalent MOL file

Alkene Ester

Properties

Molecular formula: C₂₂H₄₂O₂
Molar mass: 338.58 g/mol
Exact mass: 338.3185 Da
Density: 0.864 g/mL (at 25 °C)
Boiling point: 175 °C (at 0.5 Torr)
logP: 7.37Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 18

Hazards

Warning

H315 Causes skin irritation67.7% of notifiers
H317 May cause an allergic skin reaction11.1% of notifiers
H319 Causes serious eye irritation67.7% of notifiers
H335 May cause respiratory irritation67.5% of notifiers

Aggregated from 542 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

32360-05-7

SMILES

C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC

InChIKey

HMZGPNHSPWNGEP-UHFFFAOYSA-N

InChI

InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h2,4-20H2,1,3H3

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 6.15 (d, J = 1.4 Hz, 1H), 5.58 (d, J = 1.4 Hz, 1H), 4.08 (t, J = 7.0 Hz, 2H), 1.71 (s, 3H), 1.67 (quint, 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 (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), 0.86 (t, J = 7.0 Hz, 3H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 166.6, 137.7, 125.4, 68.4, 32.5, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.0, 30.0, 30.0, 26.5, 23.1, 17.2, 14.0.

[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 337.3112

Elemental analysis

Anal. Calcd for C22H42O2: C, 78.05; H, 12.50.