Cas no 2725-53-3 (5-tert-Butyl-2-hydroxybenzaldehyde)

5-tert-Butyl-2-hydroxybenzaldehyde structure
2725-53-3 structure
Product Name:5-tert-Butyl-2-hydroxybenzaldehyde
CAS No:2725-53-3
MF:C11H14O2
MW:178.227663516998
MDL:MFCD01321335
CID:252982
PubChem ID:1475090
Update Time:2025-04-19

5-tert-Butyl-2-hydroxybenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-(tert-Butyl)-2-hydroxybenzaldehyde
    • 5-tert-butyl-2-hydroxybenzaldehyde
    • 5-TERT-BUTYL-2-HYDROXY-BENZALDEHYDE
    • 5-TERT-BUTYLSALICYLALDEHYDE
    • Benzaldehyde, 5-(1,1-dimethylethyl)-2-hydroxy-
    • 2-hydroxy-5-tert-butylbenzaldehyde
    • 5-tBu-Sal-H
    • 5-t-Bu-salicylaldehyde
    • 5-tert-Bu-salicylaldehyde
    • 5-(tert-butyl)-2-hydroxybenzenecarbaldehyde
    • A818979
    • 5-tert-Butyl-2-hydroxybenzaldehyde, 98%
    • SY081235
    • DTXSID20363063
    • MFCD01321335
    • CS-W017321
    • AMY13666
    • Benzaldehyde, 2-hydroxy, 5-(t-butyl)
    • 5-t-Butyl-2-hydroxybenzaldehyde
    • GEO-02512
    • EN300-299214
    • SCHEMBL332380
    • 2725-53-3
    • 11N-951
    • 5-(tert-butyl)salicylaldehyde
    • AKOS000104230
    • CAA72553
    • 5-[(1,1-dimethyl)ethyl]-2-hydroxybenzaldehyde
    • FT-0600835
    • Benzaldehyde,5-(1,1-dimethylethyl)-2-hydroxy-
    • DB-007106
    • STK006382
    • 5-tert-Butyl-2-hydroxybenzaldehyde
    • MDL： MFCD01321335
    • Inchi： 1S/C11H14O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h4-7,13H,1-3H3
    • InChI Key： ZVCQQLGWGRTXGC-UHFFFAOYSA-N
    • SMILES： OC1C=CC(=CC=1C=O)C(C)(C)C

Computed Properties

  • Exact Mass: 178.09900
  • Monoisotopic Mass: 178.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 181
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: 3.3
  • Topological Polar Surface Area: 37.3A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.039?g/mL?at 25?°C(lit.)
  • Boiling Point: 251-252?°C/729?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:219.2°F
    Degrees Celsius:104°C
  • Refractive Index: n20/D 1.539(lit.)
  • PSA: 37.30000
  • LogP: 2.50220
  • Solubility: Not determined

5-tert-Butyl-2-hydroxybenzaldehyde Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Safety Instruction： S23-S24/25

5-tert-Butyl-2-hydroxybenzaldehyde Customs Data

  • HS CODE：2912499000
  • Customs Data：

    China Customs Code:

    2912499000

    Overview:

    2912499000. Other aldehyde ethers\Aldehydes, phenols and aldehydes containing other oxygen-containing groups. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Appearance of tetraformaldehyde

    Summary:

    2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

5-tert-Butyl-2-hydroxybenzaldehyde Pricemore >>

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5-tert-Butyl-2-hydroxybenzaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid ;  24 h, reflux; reflux → rt
1.2 Reagents: Hydrochloric acid Solvents: Dichloromethane ,  Water ;  overnight, rt
Reference
Periphery-Substituted [4+6] Salicylbisimine Cage Compounds with Exceptional High Surface Areas: Influence of the Molecular Structure on Nitrogen Sorption Properties
Schneider, Markus W.; et al, Chemistry - A European Journal, 2012, 18(3), 836-847

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