Cas no 2445-82-1 (2H-1-Benzopyran-2-one,3-methyl-)
2H-1-Benzopyran-2-one, 3-methyl-, also known as 3-methylcoumarin, is a synthetic organic compound belonging to the coumarin family. It features a benzopyrone core structure with a methyl substituent at the 3-position, enhancing its stability and reactivity profile. This compound is widely utilized in organic synthesis, fragrance formulations, and as a precursor for pharmaceuticals and agrochemicals. Its well-defined molecular structure ensures consistent performance in applications requiring precise chemical interactions. The methyl group improves solubility in organic solvents, facilitating its use in various industrial processes. Due to its versatility and reliability, 3-methylcoumarin is a valuable intermediate in research and manufacturing.
2445-82-1 structure
Product Name:2H-1-Benzopyran-2-one,3-methyl-
CAS No:2445-82-1
MF:C10H8O2
MW:160.169322967529
MDL:MFCD00059758
CID:257336
PubChem ID:17130
Update Time:2025-05-27
2H-1-Benzopyran-2-one,3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one,3-methyl-
- 3-METHYL-CHROMEN-2-ONE
- 3-METHYL-1H-1-BENZOPYRAN-2-ONE
- 3-methyl-2h-1-benzopyran-2-on
- 3-methyl-2h-1-benzopyran-2-one
- 3-methyl-2H-chromen-2-one
- 3-Methyl-2-oxo-2H-benzopyran
- 3-Methyl-2-oxochromene
- 3-methylchromen-2-one
- 3-methyl-coumari
- 3-methylcoumarin
- 3-methylcoumarine
- 3-Methyl-cumarin
- 2H-1-Benzopyran-2-one, methyl-
- DTXSID201031385
- 3-Methylcumarin
- MFCD00059758
- NSC 65664
- FT-0745305
- NSC65664
- 9PCU0P29Z3
- NCIOpen2_000275
- SY308503
- NSC-65664
- 2445-82-1
- 3-Methyl-2H-chromen-2-one #
- SCHEMBL30023
- methylcoumarin
- METHYLCOUMARIN, 3-
- F72673
- COUMARIN, 3-METHYL-
- 1333-47-7
- Methyl-2-benzopyrone
- AKOS006271530
- Q27272861
- BRN 0122776
- UNII-5HV5045SSF
- NS00047711
- 5-17-10-00165 (Beilstein Handbook Reference)
- EINECS 219-498-8
- 2H-1-Benzopyran-2-one, 3-methyl-
- EINECS 215-592-8
- 5HV5045SSF
- VIIIJFZJKFXOGG-UHFFFAOYSA-N
- 10.14272/VIIIJFZJKFXOGG-UHFFFAOYSA-N.1
- doi:10.14272/VIIIJFZJKFXOGG-UHFFFAOYSA-N.1
- UNII-9PCU0P29Z3
-
- MDL： MFCD00059758
- Inchi： 1S/C10H8O2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3
- InChI Key： VIIIJFZJKFXOGG-UHFFFAOYSA-N
- SMILES： O1C(C(C)=CC2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 160.05200
- Monoisotopic Mass: 160.052
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 230
- 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
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 2.3
Experimental Properties
- Density: 1.0924 (rough estimate)
- Melting Point: 91°C
- Boiling Point: 292.5°C (estimate)
- Flash Point: 120.6°C
- Refractive Index: 1.5300 (estimate)
- PSA: 30.21000
- LogP: 2.10140
2H-1-Benzopyran-2-one,3-methyl- Customs Data
- HS CODE：2932209090
- Customs Data：
China Customs Code:
2932209090Overview:
2932209090. Other lactones. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2H-1-Benzopyran-2-one,3-methyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | D111615-1g |
3-METHYL-CHROMEN-2-ONE |
2445-82-1 | 97% | 1g |
$485 | 2024-08-03 | |
| eNovation Chemicals LLC | D111615-5g |
3-METHYL-CHROMEN-2-ONE |
2445-82-1 | 97% | 5g |
$685 | 2024-08-03 | |
| eNovation Chemicals LLC | Y1289919-5g |
3-METHYL-CHROMEN-2-ONE |
2445-82-1 | 97% | 5g |
$155 | 2024-06-06 | |
| Ambeed | A493170-250mg |
3-Methyl-2H-chromen-2-one |
2445-82-1 | 97% | 250mg |
$18.0 | 2024-07-28 | |
| Ambeed | A493170-1g |
3-Methyl-2H-chromen-2-one |
2445-82-1 | 97% | 1g |
$35.0 | 2025-02-28 | |
| Ambeed | A493170-5g |
3-Methyl-2H-chromen-2-one |
2445-82-1 | 97% | 5g |
$101.0 | 2024-07-28 | |
| Aaron | AR00BD0G-25g |
3-Methyl-chromen-2-one |
2445-82-1 | 97% | 25g |
$438.00 | 2025-02-12 | |
| eNovation Chemicals LLC | Y1289919-250mg |
3-METHYL-CHROMEN-2-ONE |
2445-82-1 | 97% | 250mg |
$60 | 2024-06-06 | |
| eNovation Chemicals LLC | Y1289919-1g |
3-METHYL-CHROMEN-2-ONE |
2445-82-1 | 97% | 1g |
$80 | 2024-06-06 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | X201345A-5g |
2H-1-Benzopyran-2-one,3-methyl- |
2445-82-1 | 0.97 | 5g |
￥1342.8 | 2024-07-23 |
2H-1-Benzopyran-2-one,3-methyl- Related Literature
-
1. A novel NHC-catalyzed transformation of 2H-chromene-3-carboxaldehydes to 3-methyl-2H-chromen-2-onesVijay Nair,C. R. Sinu,R. Rejithamol,K. C. Seetha Lakshmi,Eringathodi Suresh Org. Biomol. Chem. 2011 9 5511
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2. Rhodium-catalysed cyclic carbonylation of 2-alkynylphenols: synthesis of benzofuranones and coumarinsEiji Yoneda,Takashi Sugioka,Kojiro Hirao,Shi-Wei Zhang,Shigetoshi Takahashi J. Chem. Soc. Perkin Trans. 1 1998 477
-
Maddali L. N. Rao,Boddu S. Ramakrishna,Sachchida Nand Org. Biomol. Chem. 2019 17 9275
-
R. N. Gourley,J. Grimshaw,P. G. Millar J. Chem. Soc. C 1970 2318
-
M. Mohsen Mahmoodi,Stephanie A. Fisher,Roger Y. Tam,Philip C. Goff,Reid B. Anderson,Jane E. Wissinger,David A. Blank,Molly S. Shoichet,Mark D. Distefano Org. Biomol. Chem. 2016 14 8289
2445-82-1 (2H-1-Benzopyran-2-one,3-methyl-) Related Products
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- 22649-28-1(2H-Chromene-3-carboxylic acid)
- 10242-13-4(2H-1-Benzopyran-3-carboxylicacid, 6-methyl-2-oxo-)
- 10387-50-5(7-Prenyloxycoumarin)
- 531-81-7(Coumarin-3-carboxylic acid)
- 20300-59-8(7-Methoxycoumarin-3-carboxylic acid)
- 57543-58-5(Ethyl 2H-chromene-3-carboxylate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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