Basic information
- Standard SMILES
CCCCOc1ccc(CO)cc1- InChIKey
MGKNBDBZIKPUFM-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 4-Butoxybenzenemethanol
- IUPAC
- (4-butoxyphenyl)methanol
- English name
- 4-Butoxybenzyl alcohol
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
4-Butoxybenzyl alcohol6214-45-5DTXSID402111984-ButoxybenzenemethanolRefChem:1070440DTXCID40133689228-284-3(4-Butoxyphenyl)methanolp-Butoxybenzyl alcoholBenzenemethanol, 4-butoxy-MFCD00004657(4-Butoxyphenyl)methanol #
Show more names
ButoxybenzylalcoholRARECHEM AL BD 0089p-Butoxybenzenemethanol4-Butoxybenzyl Alcohol >4-n-Butyloxybenzyl alcohol4-Butoxybenzyl alcohol,98%
NCIOpen2_000371AI3-05732NSC69089NSC 69089NSC-69089SY051591B10424-N-Butoxybenzyl Alcohol
Database identifiers
- CAS
6214-45-5- PubChem CID
- 80346
- DTXSID
DTXSID40211198- EC Number
- 228-284-3
- Nikkaji
- J28.531E
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 29 · 29-32 °C(lit.)
- Boiling point
- 273.08 °C · 273.08°C (rough estimate)
- Density
- 1.0044 · 1.0044 (rough estimate)
- refractive index
- 20 · n20/D 1.518(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- pka
- 14.54 · 14.54±0.10(Predicted)
- form
- Crystalline Mass
- color
- White
- FreezingPoint
- 29 to · 29.0 to 32.0 ℃
- CAS DataBase Reference
- 6214 · 6214-45-5(CAS DataBase Reference)
- NIST Chemistry Reference
- 4 · 4-Butoxybenzyl alcohol(6214-45-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25-37/39-26
- WGK Germany
- 3 · 3
- HS Code
- 29094990 · 29094990
Safety & regulation
Safety data
- wgk
- 3
- hs_code
- 29094990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25-37/39-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesThe toxicity of 4-Butoxybenzyl Alcohol has been studied on rapidly dividing cancer cells (L1210 leukemia).
Upstream & downstream products
Downstream products
Suppliers50 total
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Related reactions
3 records
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