Cas no 23504-03-2 (4-Isopropylbenzene-1,3-diol)
4-Isopropylbenzene-1,3-diol Chemical and Physical Properties
Names and Identifiers
-
- 4-Isopropylbenzene-1,3-diol
- 1,3-Benzenediol, 4-(1-methylethyl)-
- 4-Isopropylresorcinol
- 2,4-dihydroxy-1-isopropylbenzene
- 4-(1-methylethyl)-1,3-benzenediol
- 4-Isopropyl-resorcin
- 4-propan-2-ylbenzene-1,3-diol
- 4-(propan-2-yl)benzene-1,3-diol
- 4-isopropyl-1,3-benzenediol
- 4-isopropyl-benzene-1,3-diol
- LNFVQIGQENWZQN-UHFFFAOYSA-N
- 1580AB
- AS07039
- 1,3-Benzenediol,4-
- AMY23274
- J-515606
- CS-0154304
- MFCD05663778
- SCHEMBL383417
- EN300-188622
- FT-0689860
- 23504-03-2
- SY059257
- BB 0261930
- AC-23024
- DS-16241
- AKOS006292972
- EINECS 245-703-5
- DTXSID40178070
- DB-025309
- 4-Isopropylresorcinol; 4-(1-Methylethyl)-1,3-benzenediol;
- NS00027442
- ALBB-016128
- DTXCID70100561
-
- MDL: MFCD05663778
- Inchi: 1S/C9H12O2/c1-6(2)8-4-3-7(10)5-9(8)11/h3-6,10-11H,1-2H3
- InChI Key: LNFVQIGQENWZQN-UHFFFAOYSA-N
- SMILES: OC1C=C(C=CC=1C(C)C)O
Computed Properties
- Exact Mass: 152.08400
- Monoisotopic Mass: 152.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 123
- 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: 9
- XLogP3: 2.5
- Topological Polar Surface Area: 40.5
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.1±0.1 g/cm3
- Melting Point: No data available
- Boiling Point: 278.1°C at 760 mmHg
- Flash Point: 133.8±13.6 °C
- Refractive Index: 1.561
- PSA: 40.46000
- LogP: 2.22120
- Vapor Pressure: No data available
4-Isopropylbenzene-1,3-diol Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319
- Warning Statement: P261-P305+P351+P338
- Safety Instruction: H302 (100%) H312 (100%) H314 (100%)
- HazardClass:IRRITANT
- Storage Condition:Sealed in dry,Room Temperature
4-Isopropylbenzene-1,3-diol Customs Data
- HS CODE:2907299090
- Customs Data:
China Customs Code:
2907299090Overview:
2907299090 Other polyphenols,Phenolic alcohol.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
2907299090 polyphenols; phenol-alcohols.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
4-Isopropylbenzene-1,3-diol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-CO857-5g |
4-Isopropylbenzene-1,3-diol |
23504-03-2 | 97% | 5g |
712.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-CO857-1g |
4-Isopropylbenzene-1,3-diol |
23504-03-2 | 97% | 1g |
174.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-CO857-250mg |
4-Isopropylbenzene-1,3-diol |
23504-03-2 | 97% | 250mg |
139CNY | 2021-05-07 | |
| Alichem | A019086961-10g |
4-Isopropylbenzene-1,3-diol |
23504-03-2 | 97% | 10g |
$187.25 | 2023-09-02 | |
| Alichem | A019086961-25g |
4-Isopropylbenzene-1,3-diol |
23504-03-2 | 97% | 25g |
$320.46 | 2023-09-02 | |
| Alichem | A019086961-100g |
4-Isopropylbenzene-1,3-diol |
23504-03-2 | 97% | 100g |
$842.54 | 2023-09-02 | |
| TRC | I822805-1g |
4-Isopropylbenzene-1,3-diol |
23504-03-2 | 1g |
$ 64.00 | 2023-09-07 | ||
| TRC | I822805-2.5g |
4-Isopropylbenzene-1,3-diol |
23504-03-2 | 2.5g |
$98.00 | 2023-05-18 | ||
| TRC | I822805-5g |
4-Isopropylbenzene-1,3-diol |
23504-03-2 | 5g |
$161.00 | 2023-05-18 | ||
| TRC | I822805-10g |
4-Isopropylbenzene-1,3-diol |
23504-03-2 | 10g |
$247.00 | 2023-05-18 |
4-Isopropylbenzene-1,3-diol Suppliers
4-Isopropylbenzene-1,3-diol Related Literature
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1. 448. Some alkylresorcinolsJ. P. Brown,D. H. Johnson,Alexander Robertson,W. B. Whalley J. Chem. Soc. 1951 2019
Additional information on 4-Isopropylbenzene-1,3-diol
Introduction to 4-Isopropylbenzene-1,3-diol (CAS No. 23504-03-2)
4-Isopropylbenzene-1,3-diol, also known by its CAS number 23504-03-2, is a versatile organic compound with a wide range of applications in the fields of chemistry, biology, and pharmaceuticals. This compound is characterized by its unique molecular structure, which includes an isopropyl group and two hydroxyl groups attached to a benzene ring. The specific arrangement of these functional groups imparts distinct chemical and physical properties to the molecule, making it a valuable reagent in various synthetic processes and biological studies.
The molecular formula of 4-Isopropylbenzene-1,3-diol is C10H14O2, and its molecular weight is approximately 166.21 g/mol. The compound is a white crystalline solid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and acetone. Its melting point is around 105°C, and it exhibits moderate stability under standard laboratory conditions.
In recent years, 4-Isopropylbenzene-1,3-diol has gained significant attention due to its potential applications in the synthesis of pharmaceutical intermediates and fine chemicals. One of the key areas of research involves its use as a precursor in the synthesis of bioactive compounds with therapeutic properties. For instance, studies have shown that derivatives of 4-Isopropylbenzene-1,3-diol can exhibit anti-inflammatory and antioxidant activities, making them promising candidates for the development of new drugs.
The chemical reactivity of 4-Isopropylbenzene-1,3-diol is primarily attributed to the presence of the two hydroxyl groups. These functional groups can undergo various reactions such as esterification, etherification, and oxidation, which are crucial for the synthesis of more complex molecules. Additionally, the isopropyl group provides steric hindrance that can influence the selectivity and regioselectivity of these reactions, making it an important consideration in synthetic planning.
In the context of pharmaceutical research, 4-Isopropylbenzene-1,3-diol has been explored as a building block for the synthesis of small molecules that target specific biological pathways. For example, recent studies have demonstrated that certain derivatives of this compound can modulate enzyme activity and receptor binding, which are essential for various physiological processes. These findings have opened up new avenues for drug discovery and development.
Beyond its pharmaceutical applications, 4-Isopropylbenzene-1,3-diol has also found use in other areas such as materials science and environmental chemistry. In materials science, it can be used as a monomer or cross-linking agent in the synthesis of polymers with unique properties. In environmental chemistry, it has been studied for its potential as a biodegradable surfactant or as a component in green solvents.
The safety profile of 4-Isopropylbenzene-1,3-diol is an important consideration for its use in various applications. While it is generally considered safe under standard laboratory conditions, proper handling and storage practices should be followed to ensure safety. This includes using appropriate personal protective equipment (PPE) and storing the compound in a well-ventilated area away from incompatible substances.
In conclusion, 4-Isopropylbenzene-1,3-diol (CAS No. 23504-03-2) is a multifaceted compound with a wide range of applications in chemistry, biology, and pharmaceuticals. Its unique molecular structure and chemical properties make it a valuable reagent in synthetic processes and biological studies. Ongoing research continues to uncover new potential uses for this compound, further highlighting its importance in scientific and industrial contexts.
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