Cas no 6959-00-8 (1,3-Isobenzofurandione,hexahydro-4,5-dimethyl-)
6959-00-8 structure
Product Name:1,3-Isobenzofurandione,hexahydro-4,5-dimethyl-
CAS No:6959-00-8
MF:C10H14O3
MW:182.216363430023
CID:509983
PubChem ID:248875
Update Time:2025-04-19
1,3-Isobenzofurandione,hexahydro-4,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Isobenzofurandione,hexahydro-4,5-dimethyl-
- (+)-3-butyn-2-ol
- (+-)-3c,4c-Dimethyl-cyclohexan-1r,2c-dicarbonsaeure-anhydrid
- (+-)-3c,4c-dimethyl-cyclohexane-1r,2c-dicarboxylic acid-anhydride
- (+)-but-3-yn-2-ol
- 1-BUTYN-3-OL
- 1-Ethynylethanol
- 1-Methyl-2-propynyl alcohol
- 1-Methylpropargyl alcohol
- 3-Butyne-2-ol
- 3-Hydroxy-1-butyne
- Methylethynylcarbinol
- NSC66418
- SCHEMBL12785466
- DTXSID40989663
- 4,5-dimethylhexahydro-2-benzofuran-1,3-dione
- NSC-66418
- 6959-00-8
-
- Inchi： 1S/C10H14O3/c1-5-3-4-7-8(6(5)2)10(12)13-9(7)11/h5-8H,3-4H2,1-2H3
- InChI Key： JWTFMUFMDHYWDD-UHFFFAOYSA-N
- SMILES： O1C(C2CCC(C)C(C)C2C1=O)=O
Computed Properties
- Exact Mass: 182.09432
- Monoisotopic Mass: 182.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 259
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- Density: 1.106
- Boiling Point: 303.1°Cat760mmHg
- Flash Point: 138.6°C
- Refractive Index: 1.473
- PSA: 43.37
- LogP: 1.36820
1,3-Isobenzofurandione,hexahydro-4,5-dimethyl- Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
6959-00-8 (1,3-Isobenzofurandione,hexahydro-4,5-dimethyl-) Related Products
- 39255-32-8(Ethyl 2-methylpentanoate)
- 4415-87-6(1,2,3,4-cyclobutanetetracarboxylic dianhydride)
- 19438-60-9(Hexahydro-4-methylphthalic anhydride)
- 10032-15-2(Hexyl 2-methylbutanoate)
- 10138-59-7(1,2-Cyclohexanedicarboxylic Acid Diethyl Ester)
- 17347-61-4(3,3-dimethyloxolane-2,5-dione)
- 13149-00-3((3aR,7aS)-rel-Hexahydro-1,3-isobenzofurandione)
- 25550-51-0(Methylhexahydroisobenzofuran-1,3-Dione)
- 2094-73-7(1-Adamantylcarboxylic Acid Ethyl Ester)
- 85-42-7(octahydro-2-benzofuran-1,3-dione)
Recommended suppliers
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
