4-Allylanisole - 10mM in DMSO , CAS No.140-67-0

CAS: 140-67-0 Cat. No.: A421524 Molecular Weight: 148.21 Beilstein Registry Number: 1099450 EC Number: 205-427-8
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
Estragol (methylchavicol) | HSDB 5412 | NCGC00091434-02 | 3-(p-Methoxyphenyl)propene | 4-Allylanisole, analytical standard | EPA Pesticide Chemical Code 062150 | ESTRAGOLE [MI] | Estragole, analytical standard | SCHEMBL57204 | Tarragon | 4-Allylmethoxyben
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
Size
Status
Price
Qty
1ml
A421524-1ml
2
$45.90
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Estragol (methylchavicol) | HSDB 5412 | NCGC00091434-02 | 3-(p-Methoxyphenyl)propene | 4-Allylanisole, analytical standard | EPA Pesticide Chemical Code 062150 | ESTRAGOLE [MI] | Estragole, analytical standard | SCHEMBL57204 | Tarragon | 4-Allylmethoxyben
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Pubchem Sid528760719
Canonical SmilesCOC1=CC=C(C=C1)CC=C
IUPAC Name1-methoxy-4-prop-2-enylbenzene
InChIKeyZFMSMUAANRJZFM-UHFFFAOYSA-N
INCHI1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
Isomeric SMILES COC1=CC=C(C=C1)CC=C
WGK Germany 3
RTECS BZ8225000
Molecular Weight 148.21
Beilstein 1099450
Reaxy-Rn 1099454
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099454&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenol ethers
SubclassAnisoles
Intermediate Tree Nodes Not available
Direct ParentAnisoles
Alternative Parents Phenoxy compounds  Methoxybenzenes  Alkyl aryl ethers  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors an aromatic compound
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Dermatophagoides pteronyssinus (58 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meloidogyne incognita (862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
norA Quinolone resistance protein norA (2171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Psoroptes ovis (78 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Dermatophagoides farinae (123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
mepA Multidrug export protein MepA (3 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Chikungunya virus (1339 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Refractive Index1.52
Flash Point(°F)177.8 °F
Flash Point(°C)81 °C
Boil Point(°C)220 °C
Melt Point(°C)220 °C
Molecular Weight148.200 g/mol
XLogP33.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass148.089 Da
Monoisotopic Mass148.089 Da
Topological Polar Surface Area9.200 Ų
Heavy Atom Count11
Formal Charge0
Complexity112.000
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
References
1. Tianming Zhao, Guang Fan, You Tai, Xinhe Shu, Fu Tian, Shuliang Zou, Qin Wu.  (2023)  Chemical characterization, antioxidant, antimicrobial, enzyme inhibitory and cytotoxic activities of Illicium lanceolatum essential oils.  Arabian Journal of Chemistry,      [PMID:] [10.1016/j.arabjc.2023.105366]
2. Liuke Liang, Wei Zhang, Jing Hao, Yanyu Wang, Shan Wei, Shuaibing Zhang, Yuansen Hu, Yangyong Lv.  (2023)  Estragole Inhibits Growth and Aflatoxin Biosynthesis of Aspergillus flavus by Affecting Reactive Oxygen Species Homeostasis.  Microbiology Spectrum,  11  (4):   [PMID:37289093] [10.1128/spectrum.01348-23]
3. Liu Ying, Liu Xin, Gao Ying, Dong Shijian, Xiang Xiaole, Ma Lulu, Li Shugang.  (2023)  Recognition and identification of compounds contributing to off-flavor of egg white powder by molecular sensory science approach.  EUROPEAN FOOD RESEARCH AND TECHNOLOGY,  249  (7): (1749-1759).  [PMID:] [10.1007/s00217-023-04249-2]
4. Lin Wang, Cong Li, Sam Al-Dalali, Yiyang Liu, Hui Zhou, Conggui Chen, Baocai Xu, Ying Wang.  (2022)  Characterization of key aroma compounds in traditional beef soup.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2022.104839]
5. Zhunjing Wang, Yongjian Xie, Maidinai Sabier, Tao Zhang, Jianyu Deng, Xuming Song, Zhihong Liao, Qingguang Li, Shengxiang Yang, Yang Cao, Xingquan Liu, Guoxin Zhou.  (2021)  Trans-anethole is a potent toxic fumigant that partially inhibits rusty grain beetle (Cryptolestes ferrugineus) acetylcholinesterase activity.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2020.113207]
6. Zujin Yang, Liyun Huang, Xingdong Yao, Hongbing Ji.  (2016)  Host-guest complexes of estragole with β-cyclodextrin: an experimental and theoretical investigation.  FLAVOUR AND FRAGRANCE JOURNAL,  32  (2): (102-111).  [PMID:] [10.1002/ffj.3358]
7. Zhang Bin, Yuan Haiyang, Liu Ye, Deng Zijie, Douthwaite Mark, Dummer Nicholas F., Lewis Richard J., Liu Xingwu, Luan Sen, Dong Minghua, Wang Tianjiao, Xu Qingling, Zhao Zhijuan, Liu Huizhen, Han Buxing, Hutchings Graham J..  (2024)  Ambient-pressure alkoxycarbonylation for sustainable synthesis of ester.  Nature Communications,  15  (1): (1-13).  [PMID:39244602] [10.1038/s41467-024-52163-2]
8. Jiacheng Li, Cong Li, Xueli Chen, Xianyan Liao, Hui Zhou, Baocai Xu, Li Zhang, Liming Jiang.  (2025)  Characteristic aroma changes during the sauce-flavoured black pork processing based on HS-SPME-GC-O-MS and aroma recombination/omission experiments of the final product.  FOOD RESEARCH INTERNATIONAL,      [PMID:41606840] [10.1016/j.foodres.2025.117225]
9. Jinhao Zou, Xuping Wang, Jingrong Cheng, Xueming Liu, Yantian Tang, Anping Li, Daobang Tang.  (2026)  Elucidating key aroma compounds of braised squab and providing insights into their potential precursor.  FOOD CHEMISTRY,      [PMID:] [10.1016/j.foodchem.2026.149613]
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