3-Methoxypropyne

HCID 69393
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Basic information

CAS
627-41-8
Standard SMILES
C#CCOC
InChIKey
YACFFSVYSPMSGS-UHFFFAOYSA-N
Molecular formula
C4H6O
Average molar mass
70.09 g/mol
Monoisotopic mass
70.04186481

Names & identifiers

Preferred name
3-Methoxypropyne
IUPAC
3-methoxyprop-1-yne
English name
Methyl propargyl ether
Molecular formula
C4H6O
Molecular weight
70.09

Names & synonyms

Methyl propargyl ether627-41-83-MethoxypropyneEINECS 210-998-1AI3-28230DTXSID702117623Methoxypropyne3Methoxy1propyne1Propyne, 3methoxyMethyl 2propynyl etherRefChem:503293DTXCID00134253
Show more names
METHYL PROPARGYL ESTERMethylPropargylEther>METHYL 2-PROPARGYL ETHER1-Propyne, 3-methoxy- (9CI)METHYL PROPARGYL ETHER, 97+%
210-998-13-methoxyprop-1-yneMethyl 2-propynyl ether3-Methoxy-1-propyne1-Propyne, 3-methoxy-MethylPropargylEtherPropargyl methyl etherMFCD00008578

Database identifiers

CAS
627-41-8
PubChem CID
69393
DTXSID
DTXSID70211762
ChEMBL
CHEMBL162694
EC Number
210-998-1
Nikkaji
J515K

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
5

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Ethers, Other
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
228 °C · 228 °C (decomp)
Boiling point
61 · 61-62 °C(lit.)
Density
0.83 g/mL · 0.83 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.396(lit.)
Flash point
1 °F · −1 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves
wgk
3
ridadr
UN 3271 3/PG 2
hs_code
2909.19.1800
risk_code
11-36/37/38
Signal word
Danger

Chemistry & industry

Applications

UsesMethyl propargyl ether was used in the synthesis of [Ru3(μ3-K(2)-HNNMe2)(μ3-K(2)-MeOCH2CCH2)(μ-CO)2(CO)6].

Upstream & downstream products

Suppliers71 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海凛南医药科技有限公司15900633975;13262632028

Related reactions

135 records
New reaction record

Compound notes

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