1-Methoxy-4-(prop-2-yn-1-yloxy)benzene
Basic information
- CAS
17061-86-8- Standard SMILES
C#CCOc1ccc(OC)cc1- InChIKey
YRHCGFRCOATEFD-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 1-Methoxy-4-(prop-2-yn-1-yloxy)benzene
- IUPAC
- 1-methoxy-4-prop-2-ynoxybenzene
- English name
- 1-Methoxy-4-(2-propyn-1-yloxy)-benzene
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
1-methoxy-4-(prop-2-yn-1-yloxy)benzene17061-86-8DTXSID90292957RefChem:433540DTXCID50244098110-617-81-METHOXY-4-(2-PROPYN-1-YLOXY)-BENZENEBenzene,1-methoxy-4-(2-propyn-1-yloxy)-MFCD146312081-methoxy-4-prop-2-ynoxybenzeneBenzene, 1-methoxy-4-(2-propyn-1-yloxy)-NSC86577
Show more names
1-methoxy-4-(propyl-2-yne-1-yloxy)benzene
NCIOpen2_001223SCHEMBL5981846YRHCGFRCOATEFD-UHFFFAOYSA-1-methoxy-4-prop-2-ynoxy-benzeneNSC-86577AKOS008950791AB918721-Methoxy-4-(2-propyn-1-yloxy)benzene
Database identifiers
- CAS
17061-86-8- PubChem CID
- 257950
- DTXSID
DTXSID90292957- EC Number
- 110-617-8
- Nikkaji
- J792.419D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 84 · 84-85 °C(Press: 2 Torr)
- Density
- 1.051 · 1.051±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C10H10O2/c1-3-8-12-10-6-4-9(11-2)5-7-10/h1,4-7H,8H2,2H3
- InChIKey
- YRHCGFRCOATEFD-UHFFFAOYSA-N
- SMILES
- COC1=CC=C(C=C1)OCC#C
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Compound notes
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