4-Hydroxy-3-methylbenzaldehyde (HCID 139901)

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 properties

XLogP: 0.8
Topological polar surface area: 37.3 Å²
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: 8 CUX6265J · P8CUX6265J
NIST Chemistry Reference: 4 · 4-Hydroxy-3-methylbenzaldehyde(15174-69-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
RIDADR: 3 · PG3
WGK Germany: 3 · 3
HS Code: 29124900 · 29124900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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 · 1 item

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.