Butyl phenyl ether

C₁₀H₁₄OCAS 1126-79-0150.22 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₁₀H₁₄O
Molar mass: 150.22 g/mol
Exact mass: 150.1045 Da
Density: 1.0057 g/mL (at 20 °C)
Melting point: −19.4 °C
Boiling point: 210 °C
logP: 2.87Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation16.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation16.7% of notifiers
H401 Toxic to aquatic life66.7% of notifiers
H411 Toxic to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

1126-79-0

SMILES

CCCCOc1ccccc1

InChIKey

YFNONBGXNFCTMM-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names

Benzene, butoxy-
Ether, butyl phenyl
Butoxybenzene
Phenyl butyl ether
Butyloxybenzene
n-Butyl phenyl ether
Phenyl n-butyl ether
1-Phenoxybutane
NSC 8467

Work with Butyl phenyl ether

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Butoxyphenol122-94-162 % similar 4-Butoxybromobenzene39969-57-862 % similar 4-Butyloxyaniline4344-55-262 % similar 4-Butoxybenzonitrile5203-14-561 % similar 1,2-Diphenoxyethane104-66-561 % similar 9,10-Dibutoxyanthracene76275-14-461 % similar Ethyl phenyl ether103-73-160 % similar 3-Butoxyphenol18979-72-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1-phenyl-2-propanol100-86-7 4-Propylanisole104-45-0 Safranal116-26-7 (S)-Verbenone1196-01-6 (R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-3 4-Butylphenol1638-22-8 Perillaldehyde18031-40-8 1-Methoxy-2,3,5-trimethylbenzene20469-61-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook