Mercaptano bencílico - ≥98% , CAS No.100-53-8

CAS: 100-53-8 Cat. No.: B109256 Peso molecular: 124.2 Beilstein Registry Number: 605864 Número EC: 202-862-5
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
Benzyl mercaptan, purum, >=99.0% (GC) | benzyl-MERCAPTAN | Benzenemethanethiol | MFCD00004867 | Thiobenzyl alcohol | NCGC00257683-01 | FEMA 2147 | .alpha.-Toluolthiol | NCGC00248534-01 | .alpha.-Mercaptotoluene | NSC229567 | NSC-229567 | alpha -toluenethi
Storage
Argon charged,Room temperature
Shipped In
FedEx DG Service
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
25g
B109256-25g
4
22,90US$
100g
B109256-100g
≥10
37,90US$
500g
B109256-500g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
139,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Argon charged,Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 28 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
Benzyl mercaptan, purum, >=99.0% (GC) | benzyl-MERCAPTAN | Benzenemethanethiol | MFCD00004867 | Thiobenzyl alcohol | NCGC00257683-01 | FEMA 2147 | .alpha.-Toluolthiol | NCGC00248534-01 | .alpha.-Mercaptotoluene | NSC229567 | NSC-229567 | alpha -toluenethi
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Argon charged, Room temperature
Enviado en
FedEx DG Service
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥98%
Nombres e identificadores
Pubchem Sid504751373
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751373
Sonrisas canónicasC1=CC=C(C=C1)CS
IUPAC Namephenylmethanethiol
InChIKeyUENWRTRMUIOCKN-UHFFFAOYSA-N
INCHI1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
Isómeros SMILES C1=CC=C(C=C1)CS
WGK Alemania 3
RTECS XT8650000
Número ONU 2810
Grupo de embalaje II
Peso molecular 124.2
Beilstein 605864
Reaxy-Rn 605864
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605864&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Alkylthiols  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Monocyclic benzene moiety - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot NumberCertificate TypeFechaArticulo
H2212130Certificate of AnalysisMay 20, 2026 B109256
H2212142Certificate of AnalysisMay 20, 2026 B109256
J2308312Certificate of AnalysisSep 14, 2023 B109256
J2308313Certificate of AnalysisSep 14, 2023 B109256
J2308314Certificate of AnalysisSep 14, 2023 B109256
H2212132Certificate of AnalysisJul 26, 2022 B109256
H2212143Certificate of AnalysisJul 26, 2022 B109256
I2404026Certificate of AnalysisJul 26, 2022 B109256
I2509030Certificate of AnalysisJul 26, 2022 B109256
K2520240Certificate of AnalysisJul 26, 2022 B109256
C2211226Certificate of AnalysisMar 12, 2022 B109256

Show more ⌵

Propiedades químicas y físicas
SolubilidadNot miscible or difficult to mix in water.
SensibilidadAir sensitive.
Índice de refracción1.5751
Punto de inflamación (°F)158°F
Punto de inflamación (°C)70℃
Punto de ebullición (°C)194-195°C
Punto de fusión (°C)-29°C
Peso molecular124.210 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass124.035 Da
Monoisotopic Mass124.035 Da
Topological Polar Surface Area1.000 Ų
Heavy Atom Count8
Formal Charge0
Complexity55.400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Jiajun Feng, Yuxian Xing, Chuantao Yin, Pengfei Tang, Feng Jiang.  (2023)  Wholly sustainable graft copolymers derived from cellulose, lignin, and hemicellulose for high-performance elastomers, adhesives, and UV-blocking materials.  CARBOHYDRATE POLYMERS,      [PMID:38142094] [10.1016/j.carbpol.2023.121606]
2. Xiaochun Liu, Jianyu Wu, Jianxin Wu, Zhiyi Huang, Wei Shen, Xingshan Yin, Yingjuan Sun, Xiaofeng Lin, Wenjing Lin, Guobin Yi.  (2023)  Tough, self-healing, and recyclable cross-linked polyurethane elastomers via synergistic effect of dual dynamic covalent bonds.  JOURNAL OF APPLIED POLYMER SCIENCE,  141  (5): (e54876).  [PMID:] [10.1002/app.54876]
3. Luo Huihui, Tian Shuainan, Liang Hongliang, Wang He, Gao Shuang, Dai Wen.  (2023)  Oxidative cleavage and ammoxidation of organosulfur compounds via synergistic Co-Nx sites and Co nanoparticles catalysis.  Nature Communications,  14  (1): (1-13).  [PMID:37221164] [10.1038/s41467-023-38614-2]
4. Qinghao Zhao, Guorong Du, Pengtao Zhao, Anque Guo, Xiaomeng Cao, Chenyaqiong Cheng, Hui Liu, Fei Wang, Yuefan Zhao, Yan Liu, Xiaoyu Wang.  (2023)  Investigating wine astringency profiles by characterizing tannin fractions in Cabernet Sauvignon wines and model wines.  FOOD CHEMISTRY,      [PMID:36821921] [10.1016/j.foodchem.2023.135673]
5. Zhiyong Xiong, Bingzhi Guo, Yongchun Wei, Guoquan Zhang, Lei Wang, Yingnan Chen.  (2023)  Effects of intramolecular proton acceptors located near sulfhydryl groups on sulfhydryl compounds for acrylamide elimination.  FOOD CHEMISTRY,      [PMID:36652794] [10.1016/j.foodchem.2023.135476]
6. Zhiqiang Wang, Pengfei Tang, Shuaishuai Chen, Yuxian Xing, Chuantao Yin, Jiajun Feng, Feng Jiang.  (2023)  Fully biobased sustainable elastomers derived from chitin, lignin, and plant oil via grafting strategy and Schiff-base chemistry.  CARBOHYDRATE POLYMERS,      [PMID:36737210] [10.1016/j.carbpol.2023.120577]
7. Qianqian Wang, Hao Cui, Xiaolin Wang, Ziyu Hu, Peipei Tao, Mingyang Li, Jianlong Wang, Yaping Tang, Hong Xu, Xiangming He.  (2023)  Exceptional Light Sensitivity by Thiol–Ene Click Lithography.  Journal of the American Chemical Society,      [PMID:36625511] [10.1021/jacs.2c11887]
8. Jia Guo, Siqi Zhang, Yaqi Tao, Baoer Fan, Wen Tang.  (2022)  Glutathione-triggered biodegradable poly(disulfide)s: ring-opening copolymerization and potent antibacterial activity.  Polymer Chemistry,  13  (48): (6637-6649).  [PMID:] [10.1039/D2PY01084D]
9. Yiling Li, Shuxiao Yi, Zhongli Lei, Yan Xiao.  (2021)  Amphiphilic polymer-encapsulated Au nanoclusters with enhanced emission and stability for highly selective detection of hypochlorous acid.  RSC Advances,  11  (24): (14678-14685).  [PMID:35423968] [10.1039/D1RA01634B]
10. Chenhui Cui, Xingxing Chen, Li Ma, Qianyun Zhong, Zhen Li, Arumugam Mariappan, Qiang Zhang, Yilong Cheng, Gang He, Xiaoming Chen, Zhen Dong, Le An, Yanfeng Zhang.  (2020)  Polythiourethane Covalent Adaptable Networks for Strong and Reworkable Adhesives and Fully Recyclable Carbon Fiber-Reinforced Composites.  ACS Applied Materials & Interfaces,      [PMID:32986410] [10.1021/acsami.0c14189]
11. Liu Xu, Xu Wen Wu, Huang Xinyu, Wang Endong, Cai Xiao, Zhao Yue, Li Jin, Xiao Min, Zhang Chunfeng, Gao Yi, Ding Weiping, Zhu Yan.  (2020)  De novo design of Au36(SR)24 nanoclusters.  Nature Communications,  11  (1): (1-7).  [PMID:32620825] [10.1038/s41467-020-17132-5]
12. Yan Lei, Limei Yu, Maochang Shen, Shikang Luo, Zhanxian Gao.  (2019)  Condensation of 9-fluorenone and phenol using an ionic liquid and a mercapto compound synergistic catalyst.  NEW JOURNAL OF CHEMISTRY,  43  (39): (15700-15705).  [PMID:] [10.1039/C9NJ02581B]
13. Hao Suo, Ruochen Tian, Jing Li, Shuting Zhang, Yan Cui, Lingxi Li, Baoshan Sun.  (2019)  Compositional characterization study on high -molecular -mass polymeric polyphenols in red wines by chemical degradation.  FOOD RESEARCH INTERNATIONAL,      [PMID:31284995] [10.1016/j.foodres.2019.04.056]
14. Nani Zhou, Le Shen, Zhen Dong, Jiahong Shen, Lihua Du, Xiping Luo.  (2018)  Enzymatic Synthesis of Thioesters from Thiols and Vinyl Esters in a Continuous-Flow Microreactor.  Catalysts,  (6): (249).  [PMID:] [10.3390/catal8060249]
15. Qinghua Xu, Chaoliang He, Chunsheng Xiao, Shuangjiang Yu, Xuesi Chen.  (2014)  ε-Methacryloyl-L-lysine based polypeptides and their thiol–ene click functionalization.  Polymer Chemistry,  (10): (1758-1767).  [PMID:] [10.1039/C4PY01523A]
16. Ting Yang, Zheng Chen, Ziqing Wang, Jiayuan Yu, Changjiu Xia, Hongxia Liu, Lei Liu, Xinxin Peng, Yibin Luo, Xingtian Shu.  (2024)  Aerobic Thiols Oxidative Coupling to Disulfides over Robust CoOx Nanoclusters Confined within Hierarchical Silicalite-1 Zeolite.  INORGANIC CHEMISTRY,      [PMID:39478293] [10.1021/acs.inorgchem.4c03791]
17. Zhang Jinbo, Jiang Lihang, Liu Shaofeng, Shen Junhao, Braunstein Pierre, Shen Yong, Kang Xiaohui, Li Zhibo.  (2024)  Bifunctional and recyclable polyesters by chemoselective ring-opening polymerization of a δ-lactone derived from CO2 and butadiene.  Nature Communications,  15  (1): (1-12).  [PMID:39379349] [10.1038/s41467-024-52090-2]
18. Shuyi Sun, Kaijuan Li, Xin Li, Shaowei Shi.  (2024)  Dual-Redox Responsive Interfaces Based on Donor–Acceptor Interactions.  ACS Applied Materials & Interfaces,      [PMID:39531015] [10.1021/acsami.4c14952]
19. Chen Ke-Xiang, Cui Chen-Hui, Li Zhen, Xu Ting, Teng Hao-Qing, He Zhi-Yuan, Guo Yin-Zhou, Ming Xiao-Qing, Ge Zhi-Shen, Zhang Yan-Feng, Wang Tie-Jun.  (2024)  Dynamic Sulfur-Rich Polymers from Elemental Sulfur and Epoxides.  CHINESE JOURNAL OF POLYMER SCIENCE,  42  (10): (1479-1487).  [PMID:] [10.1007/s10118-024-3182-9]
20. Zhuolin Zhang, Kangning Wu, Zichao Yang, Haoran Sui, Dongxu An, Chenhui Cui, Fusheng Zhou, Jianying Li.  (2024)  Improved healability for large-sized electrical breakdown in thermosetting polythiourethane with excellent mechanical properties and electrical insulation.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.56385]
21. Jie Hao, Yuanshuo Wang, Yang Xiao, Songhua He, Mingqi Chen, Xin Mao, Qiuju Huang, Zhiheng Su, Qinpei Lu, Hongwei Guo.  (2025)  Proanthocyanidin polymers (condensed tannins) from lychee seeds exhibit antioxidant, anticancer, anti-α-amylase, and anti-tyrosinase activities.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:40169045] [10.1016/j.ijbiomac.2025.142641]
22. Jiangping Huang, Meiting Li, Chengyun Han, Zhongwei Zhang, Xiang Liu, Zhixuan Ying, Peipei Yin, Lingguang Yang.  (2024)  Structural and mechanistic insights into the anti-tyrosinase, anti-melanogenesis, and anti-browning effect of proanthocyanidins from seed coats of Acer truncatum Bunge.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39622376] [10.1016/j.ijbiomac.2024.138246]
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24. Yuxian Xing, Yi Wei, Chongxiao Ge, Rui Hu, Yaqiong Zhang, Baoxia Wang, Zhiqiang Wang, Feng Jiang.  (2024)  Sustainable chitin-derived elastomers via grafting strategy with tunable mechanical and adhesion properties.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39236958] [10.1016/j.ijbiomac.2024.135289]
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