3-(4-Hydroxyphenyl)propanol
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Basic information
- CAS
10210-17-0- Standard SMILES
OCCCc1ccc(O)cc1- InChIKey
NJCVPQRHRKYSAZ-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Overview
3-(4-Hydroxyphenyl)-1-propanol is a member of phenols.
Names & identifiers
- Preferred name
- 3-(4-Hydroxyphenyl)propanol
- IUPAC
- 4-(3-hydroxypropyl)phenol
- English name
- 3-(4-HYDROXYPHENYL)-1-PROPANOL
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19
Names & synonyms
HPP cpd3-(4-hydroxyphenyl)propanolRefChem:4931463-(4-Hydroxyphenyl)-1-propanol10210-17-04-(3-Hydroxypropyl)phenolBenzenepropanol, 4-hydroxy-3-(4-Hydroxyphenyl)propan-1-olMFCD00002953Dihydro-p-coumaryl alcohol4-(3-hydroxy-propyl)-phenol3-(p-Hydroxyphenyl)-1-propanol
Show more names
4-Hydroxybenzene-1-propanol3-(4-Hydroxyphenyl)-1-propal4-Hydroxyhydrocinnamyl alcohol
AI3-121084-hydroxybenzenepropanol1-Propanol, 3-(p-hydroxyphenyl)-4-Hydroxy-BenzenepropanolEINECS 233-511-41DJM7P148S3-(p-Hydroxyphenyl)propan-1-ol1-(4-Hydroxyphenyl)-3-propanol
Database identifiers
- CAS
10210-17-0- PubChem CID
- 82452
- DTXSID
DTXSID80144638- ChEBI
CHEBI:179258- UNII
- 1DJM7P148S
- EC Number
- 233-511-4
- Nikkaji
- J227.110I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 95.7
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point55 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 51 · 51-54 °C (lit.)
- Boiling point
- 170 °C · 170 °C(Press: 2 Torr)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 10.05 · 10.05±0.15(Predicted)
- color
- Off-White to Pale Brown
- InChI
- 1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2
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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2907290090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses3-(4-Hydroxyphenyl)-1-propanol was used in the synthesis of ()-centrolobine.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 3-(4-Hydroxyphenyl)-1-propanol is a member of phenols.
Related reactions
67 records
Compound notes
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