Piperonyl butoxide

C₁₉H₃₀O₅CAS 51-03-6338.44 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₃₀O₅
Molar mass: 338.44 g/mol
Exact mass: 338.2093 Da
Density: 1.06 g/mL (at 20 °C)
Melting point: below 25 °C
Boiling point: 180 °C (at 1 Torr)
Flash point: 171.1 °C (open cup)
Water solubility: 14.3 mg/L (25 °C)
logP: 3.72Crippen estimate
Polar surface area: 46.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 13

Hazards

Warning

H319 Causes serious eye irritationSerious eye damage/eye irritation
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P261, P264+P265, P271, P273, P280, P304+P340, P305+P351+P338, P319, P337+P317, P391, P403+P233, P405, P501

Identifiers

CAS number

51-03-6

SMILES

CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2

InChIKey

FIPWRIJSWJWJAI-UHFFFAOYSA-N

InChI

InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3

Weigh it out

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

Names and synonyms

18 names · show all

1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-
Toluene, α-[2-(2-butoxyethoxy)ethoxy]-4,5-(methylenedioxy)-2-propyl-
5-[[2-(2-Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole
ENT 14,250
Butocide
α-[2-(2-Butoxyethoxy)ethoxy]-4,5-methylenedioxy-2-propyltoluene
α-[2-(2-n-Butoxyethoxy)-ethoxy]-4,5-methylenedioxy-2-propyltoluene
Butyl carbitol 6-propylpiperonyl ether
6-Propylpiperonyl butyl diethylene glycol ether
Butacide
Butoxide
Butoxide (synergist)
Incite
PBO
NSC 8401
Buticide
Piperonyl
Zengxiaomi

Work with Piperonyl butoxide

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Glycol dibutyl ether112-48-142 % similar Diethylene glycol dibutyl ether112-73-242 % similar 5,8,11,14,17-Pentaoxaheneicosane112-98-142 % similar Dibutyl ether142-96-139 % similar Benzyl butyl ether588-67-039 % similar Vanillyl butyl ether82654-98-636 % similar Deg monobutyl ether112-34-536 % similar Triethylene glycol monobutyl ether143-22-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dodecyl gallate1166-52-5 Idebenone58186-27-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia