(4-(Pentyloxy)phenyl)methanol
Basic information
- CAS
3243-37-6- Standard SMILES
CCCCCOc1ccc(CO)cc1- InChIKey
QWOAHKAAZZLJFF-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- (4-(Pentyloxy)phenyl)methanol
- IUPAC
- (4-pentoxyphenyl)methanol
- English name
- 4-Pentyloxybenzyl alcohol
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
[4-(PENTYLOXY)PHENYL]METHANOL(4-(pentyloxy)phenyl)methanolRefChem:402285831-240-14-Pentyloxybenzyl alcohol81720-38-9(4-pentoxyphenyl)methanolBENZENEMETHANOL, 4-(PENTYLOXY)-NSC69114starbld0002939SCHEMBL730251(4-pentyloxyphenyl)methan-1-ol
Show more names
(4-(isopentyloxy)phenyl)methanolRARECHEM AL BD 02394-n-Pentyloxybenzyl alcoholBenzenemethanol, 4-(3-methylbutoxy)-
SCHEMBL108262354-Pentyloxybenzyl alcohol, 98%DTXSID00290525QWOAHKAAZZLJFF-UHFFFAOYSA-NNSC-69114AKOS000249180DB-160741CS-0256655
Database identifiers
- CAS
3243-37-6、81720-38-9- PubChem CID
- 250107
- DTXSID
DTXSID00290525- EC Number
- 831-240-1
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 30 · 30-34 °C(lit.)
- Boiling point
- 304.5 · 304.5±17.0 °C(Predicted)
- Density
- 1.003 · 1.003±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · 230 °F
- pka
- 14.54 · 14.54±0.10(Predicted)
- WGK Germany
- 3 · 3
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
- wgk
- 3
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
Loading…