2-Methoxy-5-propylphenol
Basic information
- CAS
58539-27-8- Standard SMILES
CCCc1ccc(OC)c(O)c1- InChIKey
TZUORCZPIKYDQG-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- 2-Methoxy-5-propylphenol
- IUPAC
- 2-methoxy-5-propylphenol
- English name
- 2-methoxy-5-propyl-phenol
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
2-methoxy-5-propylphenol58539-27-8DTXSID20974097RefChem:474471DTXCID30845360877-409-35-propylguaiacolPhenol, 2-methoxy-5-propyl-2-METHOXY-5-PROPYL-PHENOLMFCD00482086DihydrochavibetolPhenol,2-methoxy-5-propyl-
Show more names
4-n-propylguaiacolSCHEMBL901444SCHEMBL5181048SCHEMBL29833121TZUORCZPIKYDQG-UHFFFAOYSA-NICA53927AKOS006242589VS-08910
Database identifiers
- CAS
58539-27-8- PubChem CID
- 94585
- DTXSID
DTXSID20974097- EC Number
- 877-409-3
- Nikkaji
- J141.501H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Melting point
- 21 · 21-22 °C
- Boiling point
- 132 · 132-134 °C
- Density
- 1.031 · 1.031±0.06 g/cm3(Predicted)
- pka
- 10.08 · 10.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H302-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…