(2-Propyn-1-yloxy)benzene

C₉H₈OCAS 13610-02-1132.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈O
Molar mass: 132.16 g/mol
Exact mass: 132.0575 Da
Density: 1.0426 g/mL (at 9 °C)
Melting point: 273 °C (decomposes)
Boiling point: 98 °C (at 23 Torr)
logP: 1.70Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage95.2% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13610-02-1

SMILES

C#CCOc1ccccc1

InChIKey

AIQRJSXKXVZCJO-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H2

Weigh it out

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

Names and synonyms

18 names · show all

Benzene, (2-propyn-1-yloxy)-
Ether, phenyl 2-propynyl
Benzene, (2-propynyloxy)-
Phenyl propargyl ether
3-Phenoxypropyne
(2-Propynyloxy)benzene
Propargyl phenyl ether
Phenyl 2-propynyl ether
3-Phenoxy-1-propyne
(Phenoxymethyl)acetylene
1-Phenoxy-2-propyne
(Propargyloxy)benzene
Phenyloxymethylacetylene
3-Phenyloxy-1-propyne
2-Propynyoxybenzene
1-(Prop-2-ynyloxy)benzene
1-Naphthyl propargyl ether
(Prop-2-ynyloxy)benzene

Work with (2-Propyn-1-yloxy)benzene

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

1,6-Diphenoxy-2,4-hexadiyne30980-37-158 % similar Phenoxyacetonitrile3598-14-958 % similar 1,2-Diphenoxyethane104-66-550 % similar Propargyl benzenesulfonate6165-75-945 % similar Ethyl phenyl ether103-73-144 % similar Benzyl phenyl ether946-80-544 % similar 4-Phenyl-1-butyne16520-62-043 % similar Phenoxyethanol122-99-641 % similar

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

Same formula

Cinnamaldehyde104-55-2 4-Carboxaldehydebenzocyclobutene112892-88-3 Cinnamaldehyde14371-10-9 3-Phenyl-2-propyn-1-ol1504-58-1 4-Vinylbenzaldehyde1791-26-0 3-Methylbenzofuran21535-97-7 α-Ethynylbenzenemethanol4187-87-5 Atropaldehyde4432-63-7

Elsewhere

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