CAS 105337-42-6 5-Isopropyl-4-methoxy-2-methylbenzaldehyde (HCID 3276129)

Substructure search Find similar structures

Basic information

CAS: 105337-42-6
Standard SMILES: COc1cc(C)c(C=O)cc1C(C)C
InChIKey: UREBGRBNUQCTAF-UHFFFAOYSA-N
Molecular formula: C12H16O2
Average molar mass: 192.25 g/mol
Monoisotopic mass: 192.11502975

Names & identifiers

Preferred name: 5-Isopropyl-4-methoxy-2-methylbenzaldehyde
IUPAC: 4-methoxy-2-methyl-5-propan-2-ylbenzaldehyde
English name: AKOS BC-2521
Molecular formula: C12H16O2
Molecular weight: 192.25

Names & synonyms

5-ISOPROPYL-4-METHOXY-2-METHYLBENZALDEHYDE105337-42-6DTXSID00390938RefChem:303592DTXCID10341799804-807-64-methoxy-2-methyl-5-propan-2-ylbenzaldehydeMFCD026293805-isopropyl-4-methoxy-2-methyl-benzaldehydeBenzaldehyde, 4-methoxy-2-methyl-5-(1-methylethyl)-4-methoxy-2-methyl-5-(methylethyl)benzaldehyde4-methoxy-2-methyl-5-(propan-2-yl)benzaldehyde

Show more names

4-methoxy-2-methyl-5-propan-2-yl-benzaldehyde4-Methoxy-2-methyl-5-(1-methylethyl)benzaldehyde5-isopropyl-4-methoxy-2-methylbenzaldehyde(SALTDATA: FREE)

ZINC02597446ASISCHEM R35270AKOS BC-2521SCHEMBL6405698UREBGRBNUQCTAF-UHFFFAOYSA-NCHEMBRDG-BB 6531894ALBB-025883AC2079

Database identifiers

CAS: 105337-42-6
PubChem CID: 3276129
DTXSID: DTXSID00390938
EC Number: 804-807-6

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 189

Physicochemical properties

storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: T
Risk Statements: 25 · 25
Safety Statements: 45 · 45
HS Code: 2912490090 · 2912490090

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.