1-(4-Methoxyphenyl)propan-2-ol
Basic information
- CAS
30314-64-8- Standard SMILES
COc1ccc(CC(C)O)cc1- InChIKey
TXIWFQCAXKAOBZ-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)propan-2-ol
- IUPAC
- 1-(4-methoxyphenyl)propan-2-ol
- English name
- 1-(4-methoxyphenyl)propan-2-ol
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
1-(4-methoxyphenyl)propan-2-olDTXSID20952673RefChem:425801DTXCID701380753817-110-730314-64-81-(p-Methoxyphenyl)-2-propanol1-(4-methoxyphenyl)-2-propanolMFCD017084354-methoxyphenylpropane-2-olBenzeneethanol, 4-methoxy-alpha-methyl-p-Methoxy-alpha-methyl-phenethyl alcohol
Show more names
4-Methoxy-α-methylbenzeneethanolBenzeneethanol, 4-methoxy-α-methyl-
Phenethyl alcohol, p-methoxy-alpha-methyl-Benzeneethanol,4-methoxy-a-methyl-1-(4-Methoxyphenyl)-2-propanol; 2-Hydroxy-1-(4-methoxyphenyl)propane; 2'-Hydroxy-p-propylanisole; p-Methoxy-alpha-methylphenethyl Alcohol; 4-Methoxy-alpha-methylbenzeneethanolSCHEMBL1253009SCHEMBL2428966SCHEMBL73700744-Methoxy-a-methylbenzeneethanolSCHEMBL18094363
Database identifiers
- CAS
30314-64-8- PubChem CID
- 169145
- DTXSID
DTXSID20952673- EC Number
- 817-110-7
- Nikkaji
- J69.578E
Properties
Computed structural properties
- XLogP
- 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
- 117
Physicochemical properties
- Boiling point
- 107 · 107-110 °C(Press: 1 Torr)
- Density
- 1.034 · 1.034±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 15.08 · 15.08±0.26(Predicted)
- color
- Colourless
- InChI
- InChI=1S/C10H14O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8,11H,7H2,1-2H3
- InChIKey
- TXIWFQCAXKAOBZ-UHFFFAOYSA-N
- SMILES
- C1(CC(O)C)=CC=C(OC)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-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
- HS Code
- 2909499000 · 2909499000
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
- hs_code
- 2909499000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses1-(p-Methoxyphenyl)-2-propanol is an intermediate in the synthesis of analogues of CNS stimulant, Amphetamine (A634248).
Related reactions
1 records
Compound notes
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