Cas no 23039-28-3 (3-tert-Butylbenzaldehyde)

3-tert-Butylbenzaldehyde is a substituted aromatic aldehyde characterized by the presence of a tert-butyl group at the 3-position of the benzene ring. This structural feature enhances its steric and electronic properties, making it a valuable intermediate in organic synthesis. The tert-butyl group contributes to increased stability and influences reactivity in electrophilic aromatic substitution and condensation reactions. It is commonly employed in the preparation of fine chemicals, pharmaceuticals, and agrochemicals. The compound's defined molecular structure ensures consistent performance in applications requiring precise regioselectivity. Its high purity and well-characterized properties make it suitable for research and industrial use where controlled reactivity is critical.

3-tert-Butylbenzaldehyde structure

Product Name:3-tert-Butylbenzaldehyde

CAS No:23039-28-3

MF:C₁₁H₁₄O

MW:162.228263378143

MDL:MFCD11100027

CID:251643

PubChem ID:10192588

Update Time:2025-11-02

3-tert-Butylbenzaldehyde Chemical and Physical Properties

Names and Identifiers

- 3-tert-Butylbenzaldehyde
- Benzaldehyde,3-(1,1-dimethylethyl)-
- 3-t-butylbenzaldehyde
- 5-tert-butylbenzaldehyde
- m-tert-butylbenzaldehyde
- 3-tert-Butyl-benzaldehyde
- EN300-266346
- FS-5609
- 3-tert-butyl benz-aldehyde
- SCHEMBL309484
- SB35643
- Benzaldehyde, 3-(1,1-dimethylethyl)-
- CS-0110008
- FT-0716525
- 23039-28-3
- SY358410
- Z1198310513
- 3-(1,1-Dimethylethyl)benzaldehyde
- 3-(tert-butyl)benzaldehyde
- AKOS005256579
- MFCD11100027
- DTXSID90436531
- HKEQMVXZDQLSDY-UHFFFAOYSA-N
- DA-07890
- MDL： MFCD11100027
- Inchi： 1S/C11H14O/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-8H,1-3H3
- InChI Key： HKEQMVXZDQLSDY-UHFFFAOYSA-N
- SMILES： O=CC1=CC=CC(=C1)C(C)(C)C

Computed Properties

Exact Mass: 162.10400
Monoisotopic Mass: 162.104465066g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 12
Rotatable Bond Count: 2
Complexity: 155
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
XLogP3: 3.3
Topological Polar Surface Area: 17.1?2

Experimental Properties

Density: 0.967
Boiling Point: 228.022°C at 760 mmHg
Flash Point: 91.961°C
Refractive Index: 1.525
PSA: 17.07000
LogP: 2.79660

3-tert-Butylbenzaldehyde Customs Data

HS CODE：2912299000
Customs Data：

China Customs Code:
2912299000

Overview:

2912299000. Other cyclic aldehydes without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

Declaration elements:

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

Summary:

2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

3-tert-Butylbenzaldehyde Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Fluorochem	037543-250mg	3-tert-Butylbenzaldehyde	23039-28-3	95%	250mg	￡55.00	2022-03-01
Fluorochem	037543-1g	3-tert-Butylbenzaldehyde	23039-28-3	95%	1g	￡90.00	2022-03-01
Fluorochem	037543-5g	3-tert-Butylbenzaldehyde	23039-28-3	95%	5g	￡250.00	2022-03-01
Alichem	A019143543-5g	3-tert-Butylbenzaldehyde	23039-28-3	95%	5g	$559.35	2023-09-02
Chemenu	CM129610-1g	3-(tert-butyl)benzaldehyde	23039-28-3	95%	1g	$215	2021-06-17
Chemenu	CM129610-5g	3-(tert-butyl)benzaldehyde	23039-28-3	95%	5g	$529	2021-06-17
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-XT445-1g	3-tert-Butylbenzaldehyde	23039-28-3	98%	1g	280.0CNY	2021-07-10
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-XT445-5g	3-tert-Butylbenzaldehyde	23039-28-3	98%	5g	929.0CNY	2021-07-10
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-XT445-200mg	3-tert-Butylbenzaldehyde	23039-28-3	98%	200mg	112.0CNY	2021-07-10
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-XT445-50mg	3-tert-Butylbenzaldehyde	23039-28-3	98%	50mg	55.0CNY	2021-07-10

3-tert-Butylbenzaldehyde Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:23039-28-3)3-tert-Butylbenzaldehyde

Order Number:A878350

Stock Status:in Stock

Quantity:25g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 09:57

Price ($):472.0

Email:[email protected]

Product Official Link

3-tert-Butylbenzaldehyde Related Literature

1. Racemic and enantioselective metal-catalyzed synthesis of SF5-containing diarylmethanols

Justine Desroches,Ariane Tremblay,Jean-Fran?ois Paquin Org. Biomol. Chem. 2016 14 8764
2. Four-component zinc-porphyrin/zinc-salphen nanorotor

Merve S. ?zer,Anup Rana,Pronay K. Biswas,Michael Schmittel Dalton Trans. 2017 46 9491
3. Photoluminescence properties of tetrahedral zinc(ii) complexes supported by calix[4]arene-based salicylaldiminato ligands

Steve Ullmann,René Schnorr,Christian Laube,Bernd Abel,Berthold Kersting Dalton Trans. 2018 47 5801
4. Mechano-catalysis boosts glycolaldehyde conversion to tetroses over a new Zn-COF catalyst

Junxia Yang,Xu Fang,Guoqing Ren,Tie Yu New J. Chem. 2023 47 558
5. 1,3,5-Triphenylbenzene: a versatile photoluminescent chemo-sensor platform and supramolecular building block

Pratap Vishnoi,Dhananjayan Kaleeswaran,Ramaswamy Murugavel RSC Adv. 2018 8 17535

Additional information on 3-tert-Butylbenzaldehyde

3-tert-Butylbenzaldehyde (CAS No 23039-28-3): Properties, Applications, and Market Insights

3-tert-Butylbenzaldehyde (CAS No 23039-28-3) is a specialized organic compound widely used in the fragrance and pharmaceutical industries. This aromatic aldehyde is known for its unique chemical structure, featuring a tert-butyl group at the meta position of the benzene ring. Its molecular formula is C₁₁H₁₄O, and it exhibits a characteristic almond-like odor, making it valuable in perfumery.

The compound's chemical properties include a boiling point of approximately 235°C and a molecular weight of 162.23 g/mol. Its stability under normal conditions and compatibility with various solvents enhance its utility in industrial applications. Researchers often inquire about "3-tert-Butylbenzaldehyde synthesis" or "CAS 23039-28-3 suppliers," reflecting its commercial demand.

In the fragrance industry, 3-tert-Butylbenzaldehyde serves as a key intermediate for producing high-end perfumes and flavoring agents. Its ability to blend with other aromatic compounds makes it ideal for creating complex scent profiles. Recent trends show growing interest in "sustainable fragrance ingredients," positioning this compound as a candidate for eco-friendly formulations due to its biodegradability.

The pharmaceutical sector utilizes 3-tert-Butylbenzaldehyde in synthesizing active pharmaceutical ingredients (APIs). Its role in constructing heterocyclic compounds aligns with searches for "aldehyde-based drug intermediates." Innovations in "green chemistry" have also spurred studies on catalytic oxidation methods to produce this compound more efficiently.

Market analyses reveal increasing demand for CAS 23039-28-3 in Asia-Pacific regions, driven by expanding cosmetics and healthcare industries. Suppliers emphasize "high-purity 3-tert-Butylbenzaldehyde" to meet stringent quality standards. Regulatory compliance with REACH and FDA guidelines further ensures its safe application across global markets.

From a technical perspective, storage recommendations for 3-tert-Butylbenzaldehyde include keeping containers tightly sealed in cool, dry environments. Users frequently search for "handling precautions for aromatic aldehydes," underscoring the need for proper material safety data sheets (MSDS).

Emerging research explores its potential in "advanced material science," particularly in polymer modification. The compound's phenyl ring structure offers opportunities for creating specialty resins with enhanced thermal stability—a topic gaining traction in academic publications.

For laboratory applications, 3-tert-Butylbenzaldehyde (CAS No 23039-28-3) is often referenced in protocols involving Grignard reactions or reductive amination. These procedures align with frequent search queries like "benzaldehyde derivatives in organic synthesis," highlighting its role as a versatile building block.

Quality control measures for industrial-grade 3-tert-Butylbenzaldehyde typically involve gas chromatography (GC) analysis to verify purity levels above 98%. This specification responds to manufacturer needs for "consistent aldehyde feedstock" in continuous production processes.

Environmental impact assessments confirm that 3-tert-Butylbenzaldehyde undergoes rapid degradation in aquatic systems, addressing concerns about "biodegradable fragrance chemicals." Such data supports its selection over persistent synthetic alternatives in product development.

Future prospects for CAS 23039-28-3 include expanded use in "functional fragrance" technologies, where controlled release mechanisms enhance product performance. Patent filings indicate growing innovation around this compound's derivatives for long-lasting scent applications.

In summary, 3-tert-Butylbenzaldehyde remains a strategically important chemical across multiple industries. Its balance of aromatic properties and synthetic versatility continues to drive research and commercial interest worldwide.

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