Basic information
- CAS
52244-70-9- Standard SMILES
COc1ccc(CCCCO)cc1- InChIKey
ONIBHZIXCLTLNO-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)butan-1-ol
- IUPAC
- 4-(4-methoxyphenyl)butan-1-ol
- English name
- 4-(4-Methoxyphenyl)-1-butanol
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
4-(4-Methoxyphenyl)butan-1-olEINECS 257-782-3DTXSID60200286NSC 141198RefChem:514333DTXCID60122777257-782-34-(4-Methoxyphenyl)-1-butanol52244-70-94-MethoxybenzenebutanolBenzenebutanol, 4-methoxy-4-(p-Methoxyphenyl)butanol
Show more names
Nsc1411984-(4-METHYLPHENYL)-1-BUTANOL4-(1-Hydroxybut-4-yl)anisole4-(1-Hydroxybut-4-yl)anisole 98%
MFCD000029724-(4-methoxyphenyl)butanolWMU2T7GN3K239474-80-7NSC-1411984-(4-hydroxybutyl)anisoleBenzenebutanol,4-methoxy-4-Methoxybenzenebutanol; 4-(4-Hydroxybutyl)anisole; 4-(4-Methoxyphenyl)butanol; 4-(p-Methoxyphenyl)-1-butanol; NSC 141198;
Database identifiers
- CAS
52244-70-9- PubChem CID
- 97660
- DTXSID
DTXSID60200286- UNII
- WMU2T7GN3K
- EC Number
- 257-782-3
- Nikkaji
- J150.118F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Melting point
- 3 · 3-4 °C(lit.)
- Boiling point
- 160 · 160-161 °C8 mm Hg(lit.)
- Density
- 1.042 g/mL · 1.042 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.526(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 15.15 · 15.15±0.10(Predicted)
- color
- Clear Colourless
- InChI
- InChI=1S/C11H16O2/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5-8,12H,2-4,9H2,1H3
- InChIKey
- ONIBHZIXCLTLNO-UHFFFAOYSA-N
- SMILES
- C1(CCCCO)=CC=C(OC)C=C1
- CAS DataBase Reference
- 52244 · 52244-70-9(CAS DataBase Reference)
- FDA UNII
- 2 T7GN3K · WMU2T7GN3K
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Applications
Uses4-(4-Methoxyphenyl)-1-butanol is used as a reactant in nonimidazole histamine H3 receptor ligands preparation with combined inhibitory histamine N-methyltransferase activity.
General DescriptionDecay of 4-(4-methoxyphenyl)-1-butanol radical cation in water via Cα-H deprotonation has been kinetically investigated by pulse radiolysis.
Upstream & downstream products
Downstream products
Suppliers94 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海德默医药科技有限公司
Related reactions
37 records
Compound notes
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