Allylbenzene - ≥98% , CAS No.300-57-2

CAS: 300-57-2 Cat. No.: A101037 Molecular Weight: 118.18 Beilstein Registry Number: 1098501 EC Number: 206-095-7
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
3-Phenyl-1-propene | FD14063 | UNII-3VT7C9MEQ9 | Benzene, 2-propenyl- | F0001-0925 | (prop-2-en-1-yl)benzene | STL268883 | 2-Propen-1-yl-benzene | Benzene, 2-propen-1-yl- | 3VT7C9MEQ9 | EINECS 206-095-7 | DTXSID00861855 | NSC18609 | NSC-18609 | Allylbenze
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5ml
A101037-5ml
4
$30.90
25ml
A101037-25ml
1-2 wks(?)
Item is derived from our semi-finished stock and is processed in 1-2 weeks.
$48.90
100ml
A101037-100ml
4
$129.90
500ml
A101037-500ml
1
$581.90
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.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
3-Phenyl-1-propene | FD14063 | UNII-3VT7C9MEQ9 | Benzene, 2-propenyl- | F0001-0925 | (prop-2-en-1-yl)benzene | STL268883 | 2-Propen-1-yl-benzene | Benzene, 2-propen-1-yl- | 3VT7C9MEQ9 | EINECS 206-095-7 | DTXSID00861855 | NSC18609 | NSC-18609 | Allylbenze
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488180966
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180966
Canonical SmilesC=CCC1=CC=CC=C1
IUPAC Nameprop-2-enylbenzene
InChIKeyHJWLCRVIBGQPNF-UHFFFAOYSA-N
INCHI1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
Isomeric SMILES C=CCC1=CC=CC=C1
WGK Germany 3
RTECS CY2275000
UN Number 3295
Molecular Weight 118.18
Beilstein 1098501
Reaxy-Rn 1098501
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098501&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
ClassBenzene and substituted derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Aromatic hydrocarbons  Cyclic olefins  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Monocyclic benzene moiety - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Saccharomyces cerevisiae (19171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 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:

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

16 results found

Lot NumberCertificate TypeDateItem
K2201619Certificate of AnalysisMay 09, 2026 A101037
J1818031Certificate of AnalysisJan 27, 2026 A101037
D2425135Certificate of AnalysisJan 21, 2026 A101037
B2321051Certificate of AnalysisJun 17, 2025 A101037
F2310004Certificate of AnalysisApr 17, 2025 A101037
F2310001Certificate of AnalysisMar 03, 2025 A101037
F2310002Certificate of AnalysisMar 03, 2025 A101037
B2505146Certificate of AnalysisFeb 07, 2025 A101037
D2425134Certificate of AnalysisMar 25, 2024 A101037
D2403650Certificate of AnalysisMar 25, 2024 A101037
F2310003Certificate of AnalysisMay 27, 2023 A101037
E2327642Certificate of AnalysisMay 10, 2023 A101037
B2321049Certificate of AnalysisFeb 25, 2023 A101037
B2321059Certificate of AnalysisFeb 25, 2023 A101037
D2120018Certificate of AnalysisJan 16, 2023 A101037
L2101010Certificate of AnalysisDec 08, 2021 A101037

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Chemical and Physical Properties
Refractive Index1.511
Flash Point(°F)92 °F
Flash Point(°C)33℃
Boil Point(°C)156-157°C
Melt Point(°C)557 °C
Molecular Weight118.180 g/mol
XLogP33.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass118.078 Da
Monoisotopic Mass118.078 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity78.000
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. Dong Li, Kaixuan Wang, Jiahong Tang, Yizhou Zhao, Hanan Elhaes, Muhammad Tahir, Medhat A. Ibrahim, Yujing Li.  (2022)  Efficient photosensitized singlet oxygen generation in two-dimensional perovskite nanosheets via energy transfer.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2022.155991]
2. Dingxuan Ma, Yaowen Zhang, Huihui Zhao, Kang Liu, Lei Wang.  (2021)  Directing two copper porphyrin based polymers as highly efficient heterogeneous catalysts for styrene oxidation.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2021.151363]
3. Gaoyi Yi, Jingxia He, Baian Ji, Die Gao, Kailian Zhang, Lujun Wang, Jing Zeng, Zhining Xia, Qifeng Fu.  (2020)  Solvothermal-assisted in situ rapid growth of octadecylamine functionalized polydopamine-based permanent coating as stationary phase for open-tubular capillary electrochromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32822976] [10.1016/j.chroma.2020.461436]
4. Yingpeng Huo, Jiwen Hu, Yuanyuan Tu, Zhenzhu Huang, Shudong Lin, Yangfei Hu, Chao Feng.  (2020)  Platinum-Imidazolyl Schiff Base Complexes Immobilized in Periodic Mesoporous Organosilica Frameworks as Catalysts for Hydrosilylation.  APPLIED ORGANOMETALLIC CHEMISTRY,  34  (8): (e5697).  [PMID:] [10.1002/aoc.5697]
5. Hui Lin, Yanhong Tang, Shuang Dong, Ruibo Lang, Hongge Chen.  (2020)  A new monooxygenase from Herbaspirillum huttiense catalyzed highly enantioselective epoxidation of allylbenzenes and allylic alcohols.  Catalysis Science & Technology,  10  (7): (2145-2151).  [PMID:] [10.1039/D0CY00081G]
6. Xueping Tao, Mengting Su, Panpan Chen, Meiting Yan, Dan Wang, Lan Xia, Li Rao, Zhining Xia, Qifeng Fu.  (2024)  Zirconium(IV) coordination-mediated rapid and versatile post-modification of polydopamine coating as stationary phase for open-tubular capillary electrochromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39378618] [10.1016/j.chroma.2024.465415]
7. Dan Wang, Yuanmin Gong, Meiting Yan, Jiaqi Chen, Xueping Tao, Yang Zhou, Yan Ma, Li Rao, Panpan Chen, Qifeng Fu.  (2025)  Self-polymerization-driven high-purity hydrophobic carbon dots incorporated monolithic columns for high-selectivity reversed-phase capillary liquid chromatography.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.113665]
8. Fengting Hao, Zhaochun Liu, Pengcheng Huang, Wenqian Fu, Jie Ren, Lu Fan, Wei Chen, Tiandi Tang.  (2025)  Shape-selective zeolite catalysis for the tandem reaction of aromatic alcohol dehydration isomerization to internal alkene.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2025.116221]
Solution Calculators
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