4-Hydroxy-3-methylbenzaldehyde
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Basic information
- CAS
15174-69-3- Standard SMILES
Cc1cc(C=O)ccc1O- InChIKey
BAKYASSDAXQKKY-UHFFFAOYSA-N- Molecular formula
- C8H8O2
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.0524295
Overview
4-Hydroxy-3-methylbenzaldehyde is a hydroxybenzaldehyde.
Names & identifiers
- Preferred name
- 4-Hydroxy-3-methylbenzaldehyde
- IUPAC
- 4-hydroxy-3-methylbenzaldehyde
- English name
- 4-Hydroxy-3-methylbenzaldehyde
- Molecular formula
- C8H8O2
- Molecular weight
- 136.15
Names & synonyms
4-Hydroxy-3-methylbenzaldehyde15174-69-3Benzaldehyde, 4-hydroxy-3-methyl-UNII-P8CUX6265JP8CUX6265JDTXSID10164864RefChem:99197DTXCID6087355626-649-5BAKYASSDAXQKKY-UHFFFAOYSA-N4-Hydroxy-3-methyl-benzaldehydeMFCD00012360
Show more names
1-(4-Ethylphenyl)propan-3-one4-Hydroxy-3-methylbenzaldehyde 97%4-Hydroxy-3-Methylbenzaldehyde, 97%+
3-methyl-4-hydroxybenzaldehydeSCHEMBL1429883-methyl-p-hydroxybenzaldehydeCHEBI:1903924-Hydroxy-3-methylbenzaldehyde, 97%AKOS005067737AS-11571BP-13093
Database identifiers
- CAS
15174-69-3- PubChem CID
- 139901
- DTXSID
DTXSID10164864- ChEBI
CHEBI:190392- UNII
- P8CUX6265J
- EC Number
- 626-649-5
- Nikkaji
- J526.377H
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 118 · 118-120 °C (lit.)
- Boiling point
- 250.6 °C · 250.6°C (estimate)
- Density
- 1.115 · 1.1150 (rough estimate)
- refractive index
- 1.509 · 1.5090 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly, Heated), Methanol (Slightly)
- form
- Crystalline Powder
- pka
- 8.12 · 8.12±0.18(Predicted)
- color
- Off-white, tan to brown
- InChI
- InChI=1S/C8H8O2/c1-6-4-7(5-9)2-3-8(6)10/h2-5,10H,1H3
- InChIKey
- BAKYASSDAXQKKY-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(O)C(C)=C1
- LogP
- 1.807 · 1.807 (est)
- CAS DataBase Reference
- 15174 · 15174-69-3(CAS DataBase Reference)
- FDA UNII
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 44 reports by companies from 7 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
- ridadr
- PG3
- hs_code
- 29124900
- 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
Applications
Uses4-Hydroxy-3-methylbenzaldehyde was used in the preparation of a new series of benzothiazole schiff bases which display antitumor activity against cervical cancer. Also used in the synthesis of novel pyrimidine derivatives which possess antibacterial properties against gram-positive and gram-negative bacteria.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 4-Hydroxy-3-methylbenzaldehyde is a hydroxybenzaldehyde.
Related reactions
81 records
Compound notes
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