ChemicalBook > CAS DataBase List > 4-ISOPROPOXYBENZALDEHYDE

4-ISOPROPOXYBENZALDEHYDE

Product Name
4-ISOPROPOXYBENZALDEHYDE
CAS No.
18962-05-5
Chemical Name
4-ISOPROPOXYBENZALDEHYDE
Synonyms
NSC 69072;AKOS 226-45;AKOS BC-2523;AKOS B000275;ALDH1A3-IN-3;ASISCHEM R42745;BUTTPARK 32\08-27;4-IsopropoxybenzaL;4-ISOPROPOXYBENZALDEHYDE;p-Isopropoxybenzaldehyde
CBNumber
CB9318261
Molecular Formula
C10H12O2
Formula Weight
164.2
MOL File
18962-05-5.mol
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4-ISOPROPOXYBENZALDEHYDE Property

Melting point:
167 °C
Boiling point:
108-110 °C (5 mmHg)
Density 
1.036
refractive index 
1.545-1.547
Flash point:
108-110°C/5mm
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
form 
clear liquid
color 
Colorless to Light orange to Yellow
Sensitive 
Air Sensitive
BRN 
742921
InChI
InChI=1S/C10H12O2/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
InChIKey
WDANSDASCKBVKH-UHFFFAOYSA-N
SMILES
C(=O)C1=CC=C(OC(C)C)C=C1
CAS DataBase Reference
18962-05-5(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
37/39-26-36
HazardClass 
IRRITANT
HS Code 
2912490090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

TCI Chemical
Product number
I0949
Product name
4-Isopropoxybenzaldehyde
Purity
>96.0%(GC)
Packaging
5g
Price
$48
Updated
2025/07/31
TCI Chemical
Product number
I0949
Product name
4-Isopropoxybenzaldehyde
Purity
>96.0%(GC)
Packaging
25g
Price
$167
Updated
2025/07/31
TRC
Product number
I779023
Product name
4-Isopropoxybenzaldehyde
Packaging
250mg
Price
$45
Updated
2021/12/16
AK Scientific
Product number
J52199
Product name
4-Isopropoxybenzaldehyde
Packaging
1g
Price
$10
Updated
2021/12/16
Matrix Scientific
Product number
028456
Product name
4-Isopropoxybenzaldehyde
Purity
95+%
Packaging
5g
Price
$17
Updated
2021/12/16
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4-ISOPROPOXYBENZALDEHYDE Chemical Properties,Usage,Production

Chemical Properties

clear colorless to yellow liquid

Uses

ALDH1A3-IN-3 (compound 16) is a potent inhibitor of ALDH1A3, with an IC50 of 0.26 μM. ALDH1A3-IN-3 is also a good ALDH3A1 substrate. ALDH1A3-IN-3 can be used for the research of prostate cancer[1].

Synthesis

75-30-9

123-08-0

18962-05-5

General procedure for the synthesis of 4-isopropoxybenzaldehyde from 2-iodopropane and p-hydroxybenzaldehyde: Referring to Example 3, to a 100 mL DMF solution containing 2 g (16.38 mmol) of p-hydroxybenzaldehyde was added sequentially 2.72 g (19.69 mmol) of K2CO3, 2.74 g (16.52 mmol) of KI, and 3.94 mL ( 39.38 mmol) 2-iodopropane and the reaction was carried out under argon protection. The reaction mixture was stirred at 80 °C overnight and subsequently concentrated. The concentrated residue was partitioned between CHCl3 and H2O to separate the organic and aqueous phases. The aqueous phase was further extracted with CHCl3 and after combining all the organic phases was dried and concentrated with MgSO4. The crude product was purified by silica gel column chromatography using a gradient polarity EtOAc/hexane mixed solvent as eluent, resulting in 2.08 g of oily 4-isopropoxybenzaldehyde in 77% yield. The structure of the product was confirmed by 1H-NMR (300 MHz, CDCl3, δTMS): 1.39 (d, J=6Hz, 6H), 4.67 (m, 1H), 6.96 (d, J=8.7Hz, 2H), 7.81 (d, J=8.7Hz, 2H), 9.87 (s, 1H).

IC 50

ALDH3; ALDH1

References

[1] Ibrahim AIM, et, al. Expansion of the 4-(Diethylamino)benzaldehyde Scaffold to Explore the Impact on Aldehyde Dehydrogenase Activity and Antiproliferative Activity in Prostate Cancer. J Med Chem. 2022 Mar 10;65(5):3833-3848. DOI:10.1021/acs.jmedchem.1c01367

4-ISOPROPOXYBENZALDEHYDE Preparation Products And Raw materials

Raw materials

Preparation Products

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4-ISOPROPOXYBENZALDEHYDE Suppliers

Cenik Chemicals
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View Lastest Price from 4-ISOPROPOXYBENZALDEHYDE manufacturers

Zhuozhou Wenxi import and Export Co., Ltd
Product
4-ISOPROPOXYBENZALDEHYDE 18962-05-5
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-11
Zhuozhou Wenxi import and Export Co., Ltd
Product
4-ISOPROPOXYBENZALDEHYDE 18962-05-5
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-09
Career Henan Chemical Co
Product
4-(Isopropyloxy)benzaldehyde 18962-05-5
Price
US $1.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
200KG
Release date
2020-01-09

18962-05-5, 4-ISOPROPOXYBENZALDEHYDERelated Search:


  • ASISCHEM R42745
  • BUTTPARK 32\08-27
  • 4-ISOPROPOXYBENZALDEHYDE
  • AKOS B000275
  • AKOS 226-45
  • AKOS BC-2523
  • 4-ISOPROPOXY-1-FORMYLBENZENE
  • 4-Isopropoxybenzaldehyde,98%
  • 4-isopropoxybenzaldehyde(SALTDATA: FREE)
  • 4-(1-Methylethoxy)benzaldehyde
  • 4-(Isopropyloxy)benzaldehyde
  • 4-(Propan-2-yloxy)benzaldehyde
  • 4-[(1-Methylethyl)oxy]benzaldehyde
  • NSC 69072
  • p-(Isopropyloxy)benzaldehyde
  • p-Isopropoxybenzaldehyde
  • 4-IsopropoxybenzaL
  • 4-Isopropoxybenzaldehyde &gt
  • Benzaldehyde, 4-(1-methylethoxy)-
  • ALDH1A3-IN-3
  • 18962-05-5
  • 18962-05-0
  • 18963-05-5
  • ALDEHYDE
  • Aromatic Aldehydes & Derivatives (substituted)