((Ethenyloxy)methyl)benzene

C₉H₁₀OCAS 935-04-6134.18 g/mol

Open in Covalent MOL file

Alkene Ether

Properties

Molecular formula: C₉H₁₀O
Molar mass: 134.18 g/mol
Exact mass: 134.0732 Da
logP: 2.35Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H226 Flammable liquid and vapor66.7% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

935-04-6

SMILES

C=COCC1=CC=CC=C1

InChIKey

AZDCYKCDXXPQIK-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O/c1-2-10-8-9-6-4-3-5-7-9/h2-7H,1,8H2

Characterization data

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

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.29 (m, J = 7.7, 1.6 Hz, 2H), 7.29 (m, J = 7.7 Hz, 2H), 7.29 (m, J = 7.7, 1.6 Hz, 1H), 6.47 (dd, J = 16.8, 10.8 Hz, 1H), 5.09 (s, 2H), 4.18 (dd, J = 16.8, 1.4 Hz, 1H), 4.04 (dd, J = 10.8, 1.4 Hz, 1H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 152.7, 140.8, 128.5, 127.5, 126.9, 84.4, 72.4.

[M + H]+

[M + H]+ Calcd for C9H11O 135.0804

[M + Na]+

[M + Na]+ Calcd for C9H10NaO 157.0624

[M − H]−

[M − H]− Calcd for C9H9O 133.0659

Elemental analysis

Anal. Calcd for C9H10O: C, 80.56; H, 7.51.