Hexestrol - ≥98% , CAS No.84-16-2

CAS: 84-16-2 Cat. No.: H109882 Peso molecular: 270.37 Número EC: 201-518-1
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | AB01275505-01 | HEXESTROL [JAN] | SR-05000001509-1 | Dihydro-stilbestro | HY-B1662 | s2473 | Tox21_110377 | NCGC00094818-09 | Phenol,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,S*)- | 3,4-Bis(p-hydroxyphen
Storage
Protected from light,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
H109882-1g
5

45,90US$

68,90US$
Guardar 23,00 US$ (33.38%)
5g
H109882-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

206,90US$

310,90US$
Guardar 104,00 US$ (33.45%)
10g
H109882-10g
4

209,90US$

314,90US$
Guardar 105,00 US$ (33.34%)
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Why this grade

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

🌡

Storage & shipping

Protected from light,Room temperature Ships Normal 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.

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Literature proof

Cited in 20 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
4-[(1R, 2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | AB01275505-01 | HEXESTROL [JAN] | SR-05000001509-1 | Dihydro-stilbestro | HY-B1662 | s2473 | Tox21_110377 | NCGC00094818-09 | Phenol, 4'-(1, 2-diethyl-1, 2-ethanediyl)bis-, (R*, S*)- | 3, 4-Bis(p-hydroxyphen
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Protected from light, Room temperature
Enviado en
Normal
Pureza
≥98%
Nombres e identificadores
Pubchem Sid504757755
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504757755
Sonrisas canónicasCCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O
IUPAC Name4-[(3S,4R)-4-(4-hydroxyphenyl)hexan-3-yl]phenol
InChIKeyPBBGSZCBWVPOOL-HDICACEKSA-N
INCHI1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+
Isómeros SMILES CC[C@H](C1=CC=C(C=C1)O)[C@@H](CC)C2=CC=C(C=C2)O
Número ONU 2811
Peso molecular 270.37
Reaxy-Rn 2056686
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2056686&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
SuperclassPhenylpropanoids and polyketides
ClaseStilbenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentStilbenes
Alternative Parents Phenylpropanes  1-hydroxy-2-unsubstituted benzenoids  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Stilbene - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ishikawa (877 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR1 Estrogen receptor (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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.

7 results found

Lot NumberCertificate TypeFechaArticulo
D1916064Certificate of AnalysisMay 20, 2026 H109882
E1520137Certificate of AnalysisMar 20, 2026 H109882
C2519345Certificate of AnalysisMar 27, 2025 H109882
C2222026Certificate of AnalysisDec 14, 2023 H109882
L2301014Certificate of AnalysisDec 07, 2023 H109882
G2319493Certificate of AnalysisNov 10, 2022 H109882
J2213162Certificate of AnalysisOct 29, 2022 H109882
Propiedades químicas y físicas
SolubilidadInsoluble in water; Very soluble in Ether; Soluble in Acetone,Alcohol; Slightly soluble in Benzene,Chloroform
SensibilidadLight sensitive.
Punto de fusión (°C)185-188°C
Peso molecular270.400 g/mol
XLogP35.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass270.162 Da
Monoisotopic Mass270.162 Da
Topological Polar Surface Area40.500 Ų
Heavy Atom Count20
Formal Charge0
Complexity235.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Preguntas frecuentes y artículos
Citations of This Product
Referencias
1. Min Jia, Fupei Xu, Fei Zhai, Xiaoying Yu, Meixia Du.  (2023)  An all-in-one portable colorimetric detection platform for sensitive detection of bisphenol A based on target-mediated CeO2@ZIF-8/Apt biocomposites.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:37845127] [10.1016/j.jcis.2023.10.055]
2. Sun Min, Wang Xiuqin, Ding Yali, Feng Juanjuan.  (2022)  Titania hybridized melamine–formaldehyde aerogel for online in-tube solid-phase microextraction of polycyclic aromatic hydrocarbons prior to HPLC–DAD.  MICROCHIMICA ACTA,  189  (12): (1-10).  [PMID:36416994] [10.1007/s00604-022-05572-3]
3. Wenjing Wang, Fei Zhai, Fupei Xu, Min Jia.  (2022)  Enzyme-free amplified and one-step rapid detection of bisphenol A using dual-terminal labeled split aptamer probes.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2022.107977]
4. Xian Liu, Like Chen, Yang Yang, Liping Xu, Junyong Sun, Tian Gan.  (2022)  MXene−reinforced octahedral PtCu nanocages with boosted electrocatalytic performance towards endocrine disrupting pollutants sensing.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:36137886] [10.1016/j.jhazmat.2022.130000]
5. Yan Wu, Panpan Cao, Yanhao Jiang, Yanjuan Liu, Yuefei Zhang, Wei Chen, Zhengwu Bai, Sheng Tang.  (2022)  Ingenious introduction of aminopropylimidazole to tune the hydrophobic selectivity of dodecyl-bonded stationary phase for environmental organic pollutants.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2022.107933]
6. Yanqun Yang, Yipeng Huang, Zhuqiang Wu, Rui Shi, Zhengyi Chen, Guihua Ruan.  (2022)  Porous capillary monolithic column coupled with ultrahigh performance liquid chromatography-tandem mass spectrometry for fast and effective separation and determination of estrogens.  ANALYTICA CHIMICA ACTA,      [PMID:36089309] [10.1016/j.aca.2022.340270]
7. Jin Liu, Zhuoqun Su, Qinfeng Xu, Yiheng Shi, Di Wu, Lin Li, Yongning Wu, Guoliang Li.  (2022)  Facile synthesis of boric acid-functionalized magnetic covalent organic frameworks and application to magnetic solid-phase extraction of trace endocrine disrupting compounds from meat samples.  FOOD CHEMISTRY,      [PMID:35998488] [10.1016/j.foodchem.2022.133843]
8. Yuping Zhang, Ning Wang, Zhenyu Lu, Na Chen, Chengxing Cui, Xinxin Chen.  (2022)  Smart Titanium Wire Used for the Evaluation of Hydrophobic/Hydrophilic Interaction by In-Tube Solid Phase Microextraction.  MOLECULES,  27  (7): (2353).  [PMID:35408750] [10.3390/molecules27072353]
9. Jizhong Wu, Waqas Ahmad, Qin Ouyang, Jingui Zhang, Mingming Zhang, Quansheng Chen.  (2021)  Regenerative Flexible Upconversion-Luminescence Biosensor for Visual Detection of Diethylstilbestrol Based on Smartphone Imaging.  ANALYTICAL CHEMISTRY,      [PMID:34787394] [10.1021/acs.analchem.1c03325]
10. Mingxia Sun, Juanjuan Feng, Jiaqing Feng, Haili Sun, Yang Feng, Xiangping Ji, Chunying Li, Sen Han, Min Sun.  (2021)  Biochar nanosphere- and covalent organic framework nanosphere-functionalized titanium dioxide nanorod arrays on carbon fibers for solid-phase microextraction of organic pollutants.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.133645]
11. Xiaoxiao Zhu, Yijun Zhang, Pengfei Liu, Xiuzhi Bai, Na Chen, Yuping Zhang.  (2021)  Carbonized Aramid Fiber as the Adsorbent for In-Tube Solid-Phase Microextraction to Detect Estrogens in Water Samples.  Journal of Chemistry,      [PMID:] [10.1155/2021/9970518]
12. Wenqi Li, Jing Zhang, Wenli Zhu, Peige Qin, Qian Zhou, Minghua Lu, Xuebin Zhang, Wuduo Zhao, Shusheng Zhang, Zongwei Cai.  (2019)  Facile preparation of reduced graphene oxide/ZnFe2O4 nanocomposite as magnetic sorbents for enrichment of estrogens.  TALANTA,      [PMID:31816803] [10.1016/j.talanta.2019.120440]
13. Tianzhu Guan, Yonghai Sun, Yongjun Wang, Zhuolin Li, Tiezhu Li, Ligang Hou.  (2019)  Multi-Residue Method for the Analysis of Stilbene Estrogens in Milk.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  20  (3): (744).  [PMID:30744198] [10.3390/ijms20030744]
14. Lei Chen, Mingyue Zhang, Fengfu Fu, Jingguang Li, Zian Lin.  (2018)  Facile synthesis of magnetic covalent organic framework nanobeads and application to magnetic solid-phase extraction of trace estrogens from human urine.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30100013] [10.1016/j.chroma.2018.06.066]
15. Xuemin Chen, Yanhui Ma, Danchao Chen, Ming Ma, Chunya Li.  (2015)  Electrochemical fabrication of polymerized imidazole-based ionic liquid bearing pyrrole moiety for sensitive determination of hexestrol in chicken meat.  FOOD CHEMISTRY,      [PMID:25766811] [10.1016/j.foodchem.2015.02.038]
16. Jun Ding, Qiang Gao, Xiao-Shui Li, Wei Huang, Zhi-Guo Shi, Yu-Qi Feng.  (2011)  Magnetic solid-phase extraction based on magnetic carbon nanotube for the determination of estrogens in milk.  JOURNAL OF SEPARATION SCIENCE,  34  (18): (2498-2504).  [PMID:21780288] [10.1002/jssc.201100323]
17. Qiong-Wei Yu, Qiao Ma, Yu-Qi Feng.  (2011)  Temperature-response polymer coating for in-tube solid-phase microextraction coupled to high-performance liquid chromatography.  TALANTA,      [PMID:21530774] [10.1016/j.talanta.2011.03.003]
18. Jiaqi Xu, Wenrui Li, Min Sun, Qianyu Li, Fan Jiang, Yongning Wu, Guoliang Li.  (2025)  Magnetic cationic covalent organic framework for efficient enrichment and detection of phenolic endocrine disruptors in foodstuffs.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:40073640] [10.1016/j.chroma.2025.465827]
19. Tiemei Li, Xin Zhang, Lichong Duan, Shuhao Cui, Yingyu Chang, Xia Zhang.  (2025)  A novel ferrofluid based on hydrophobic deep eutectic solvent and Fe3O4@NH2-graphene oxide for the analysis of estrogens from various samples.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.115019]
20. Zhang Qianchun, Wang Yutong, Yang Bingnian, Bao Linchun, Wu Yun, Wang Xingyi.  (2022)  Development of an Efficient Solid-Phase Microextraction Monolithic Column for the Analysis of Estrogens in Human Urine and Serum Samples.  CHROMATOGRAPHIA,  85  (8): (733-741).  [PMID:] [10.1007/s10337-022-04178-4]
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