((Prop-2-yn-1-yloxy)methyl)benzene

HCID 6917484

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Basic information

CAS: 4039-82-1
Standard SMILES: C#CCOCc1ccccc1
InChIKey: PAQVEXAFKDWGOT-UHFFFAOYSA-N
Molecular formula: C10H10O
Average molar mass: 146.19 g/mol
Monoisotopic mass: 146.07316494

Names & identifiers

Preferred name: ((Prop-2-yn-1-yloxy)methyl)benzene
IUPAC: prop-2-ynoxymethylbenzene
English name: BENZYL PROPARGYL ETHER
Molecular formula: C10H10O
Molecular weight: 146.19

Names & synonyms

((Prop-2-yn-1-yloxy)methyl)benzene[(prop-2-yn-1-yloxy)methyl]benzeneRefChem:390451688-068-3Benzyl propargyl ether4039-82-1Propargyl Benzyl Etherprop-2-ynoxymethylbenzeneMFCD004839871-benzyloxy-2-propyneCMLDBU00003569((prop-2-ynyloxy)methyl)benzene

Show more names

Benzyl 2-Propyn-1-yl EtherBenzyl propargyl ether,97%[(2-propyn-1-yloxy)methyl]benzeneBenzene, [(2-propyn-1-yloxy)methyl]-

[(prop-2-ynyloxy)methyl]benzeneBenzene, [(2-propynyloxy)methyl]-BENZYL 2-PROPYNYL ETHERpropargylbenzyl etherbenzyloxy prop-2-yne3-benzyloxy-1-propyneProp-2-ynyloxymethyl-benzeneSCHEMBL23136

Database identifiers

CAS: 4039-82-1
PubChem CID: 6917484
DTXSID: DTXSID50426059
EC Number: 688-068-3
Nikkaji: J659.659B

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Physicochemical properties

Boiling point: 100 · 100-101 °C (18 mmHg)
Density: 1.011 · 1.011
refractive index: 1.519 · 1.519-1.521
storage temp.: 2 · 2-8°C
solubility: Soluble in chloroform.
form: Liquid
color: Clear colorless to slightly yellow
InChI: InChI=1S/C10H10O/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7H,8-9H2
InChIKey: PAQVEXAFKDWGOT-UHFFFAOYSA-N
SMILES: C1(COCC#C)=CC=CC=C1
CAS DataBase Reference: 4039 · 4039-82-1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
HS Code: 29093090 · 29093090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29093090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

UsesBenzyl propargyl ether is used in the synthesis of substituted carbocyclic aromatic compounds and pharmaceutical compounds.

UsesBenzyl propargyl ether is a propargyl derivative used in the synthesis of substituted carbocyclic aromatic compounds and pharmaceutical compounds.