Propargyl ether

HCID 23349
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Basic information

CAS
6921-27-3
Standard SMILES
C#CCOCC#C
InChIKey
HRDCVMSNCBAMAM-UHFFFAOYSA-N
Molecular formula
C6H6O
Average molar mass
94.11 g/mol
Monoisotopic mass
94.04186481

Overview

structure in first source

Names & identifiers

Preferred name
Propargyl ether
IUPAC
3-prop-2-ynoxyprop-1-yne
English name
DIPROPARGYL ETHER
Molecular formula
C6H6O
Molecular weight
94.11

Names & synonyms

Propargyl etherRefChem:589075Dipropargyl ether6921-27-3dipropargylether2-PROPYNYL ETHER1-Propyne, 3,3'-oxybis-3-(prop-2-yn-1-yloxy)prop-1-yne3-prop-2-ynoxyprop-1-yneMFCD00048108Dipropargyl oxidedi(2-propynyl) ether
Show more names
(HCequivCCH2)2O2-propynyletherPROPARGYL EITHERDIPROPYNYL ETHERbispropargyl ether
Bis(2-propynyl) etherBRN 1735850propargyletherpropargyl-etherDipropargly EtherPropargyl ether, 98%3-Prop-2-ynyloxy-propyneSCHEMBL39635

Database identifiers

CAS
6921-27-3
PubChem CID
23349
DTXSID
DTXSID10219242
EC Number
628-937-6
Nikkaji
J15.704J

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
7

Physicochemical properties

Boiling point
55 · 55-57 °C65 mm Hg(lit.)
Density
0.914 g/mL · 0.914 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.442(lit.)
Flash point
75 °F · 75 °F
storage temp.
2 · 2-8°C
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Peroxide Forming Chemical · 5 items

Dipropargyl ether

D: Other compounds that may form peroxides

Kelly

An explosion occured during a distillation of the material. See Bretherick's.

https://www.sigmaaldrich.com/MSDS/MSDS/DisplayMSDSPage.do?country=US&language=en&productNumber=416967&brand=ALDRICH&PageToGoToURL=https%3A%2F%2Fwww.sigmaaldrich.com%2Fcatalog%2Fproduct%2Faldrich%2F416967%3Flang%3Den https://www.nfpa.org/assets/files/aboutthecodes/497/tcra-1975-49-497-491m.pdf

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
UK5950000
ridadr
UN 3271 3/PG 3
hs_code
29091990
risk_code
10-19-22

Chemistry & industry

Applications

UsesPropargyl ether is a useful ether for proteomics research. It was used for the preparation of polyferrocenes, via polyaddition with 1,1-bis(azidoethyl)ferrocene. It may be used for the preaparation of cyclic polystyrene.

General DescriptionPropargylic ethers have been reported to participate in the preparation of various diindolylmethanes.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
泰州葛林美克医药科技有限公司15366892466
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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