Cas no 16325-88-5 (α,α-Dimethylbenzyl Mercaptan)
α,α-Dimethylbenzyl Mercaptan (CAS 100-53-8) is a sulfur-containing organic compound characterized by its distinctive thiol functional group attached to a tertiary benzyl carbon. This mercaptan is commonly utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its sterically hindered structure enhances stability, making it suitable for reactions requiring controlled reactivity. The compound’s strong odor, typical of thiols, aids in leak detection applications. Key advantages include its high purity, consistent performance in synthetic pathways, and utility in asymmetric synthesis due to its chiral center. Proper handling is essential due to its reactive thiol group and potential volatility.
α,α-Dimethylbenzyl Mercaptan structure
Product Name:α,α-Dimethylbenzyl Mercaptan
α,α-Dimethylbenzyl Mercaptan Chemical and Physical Properties
Names and Identifiers
-
- ALPHA,ALPHA-DIMETHYLBENZYL MERCAPTAN
- A,A-DIMETHYLBENZYL MERCAPTAN
- ALPHA-DIMETHYLBENZYL MERCAPTAN
- 1,1-DIMETHYLBENZYL MERCAPTAN
- α,α-DIMETHYLBENZYL MERCAPTAN
- alpha,alpha-Dimethylbenzyl
- 2-phenylpropane-2-thiol
- 2-(2-phenyl)propane thiol
- 2-Phenyl-2-propanethiol
- 2-Phenyl-propan-2-thiol
- 2-phenyl-propane-2-thiol
- A-Dimethylbenzyl mercaptan
- Benzenemethanethiol,a,a-dimethyl
- lmDimethylbenzyl mercaptan
- AKOS006289235
- alpha,alpha-dimethyl alpha-toluenethiol
- AC-16425
- CS-0237937
- 2-phenylpropan-2-thiol
- FT-0654482
- 16325-88-5
- EN300-188247
- alpha,alpha-Dimethylbenzylmercaptan
- A810459
- A,
- Benzenemethanethiol, alpha,alpha-dimethyl-
- WBDRVMIJNFZLMN-UHFFFAOYSA-N
- DTXSID70433366
- SCHEMBL618649
- J-519565
- α,α-Dimethylbenzyl Mercaptan
-
- Inchi： 1S/C9H12S/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
- InChI Key： WBDRVMIJNFZLMN-UHFFFAOYSA-N
- SMILES： SC(C)(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 152.06600
- Monoisotopic Mass: 152.06597156g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 101
- 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: 2.8
- Topological Polar Surface Area: 1?2
Experimental Properties
- Density: 0.991
- Boiling Point: 217.841 °C at 760 mmHg
- Flash Point: 85.62 °C
- Refractive Index: 1.536
- PSA: 38.80000
- LogP: 2.85150
- Vapor Pressure: 0.2±0.4 mmHg at 25°C
α,α-Dimethylbenzyl Mercaptan Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
α,α-Dimethylbenzyl Mercaptan Customs Data
- HS CODE：2930909090
- Customs Data：
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
α,α-Dimethylbenzyl Mercaptan Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A350885-5mg |
α,α-Dimethylbenzyl Mercaptan |
16325-88-5 | 5mg |
$ 64.00 | 2023-04-19 | ||
| TRC | A350885-10mg |
α,α-Dimethylbenzyl Mercaptan |
16325-88-5 | 10mg |
$ 87.00 | 2023-04-19 | ||
| TRC | A350885-50mg |
α,α-Dimethylbenzyl Mercaptan |
16325-88-5 | 50mg |
$ 356.00 | 2023-04-19 | ||
| Enamine | EN300-188247-0.05g |
2-phenylpropane-2-thiol |
16325-88-5 | 95% | 0.05g |
$229.0 | 2023-09-18 | |
| Enamine | EN300-188247-0.1g |
2-phenylpropane-2-thiol |
16325-88-5 | 95% | 0.1g |
$342.0 | 2023-09-18 | |
| Enamine | EN300-188247-0.25g |
2-phenylpropane-2-thiol |
16325-88-5 | 95% | 0.25g |
$487.0 | 2023-09-18 | |
| Enamine | EN300-188247-0.5g |
2-phenylpropane-2-thiol |
16325-88-5 | 95% | 0.5g |
$768.0 | 2023-09-18 | |
| Enamine | EN300-188247-1.0g |
2-phenylpropane-2-thiol |
16325-88-5 | 95% | 1g |
$986.0 | 2023-05-26 | |
| Enamine | EN300-188247-2.5g |
2-phenylpropane-2-thiol |
16325-88-5 | 95% | 2.5g |
$1931.0 | 2023-09-18 | |
| Enamine | EN300-188247-5.0g |
2-phenylpropane-2-thiol |
16325-88-5 | 95% | 5g |
$2858.0 | 2023-05-26 |
α,α-Dimethylbenzyl Mercaptan Related Literature
-
Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
16325-88-5 (α,α-Dimethylbenzyl Mercaptan) Related Products
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