Cas no 119139-54-7 (1,4-Naphthalenedione,3-hydroxy-6-methyl-2-(1-methylethyl)-5-(4-methylpentyl)-)
119139-54-7 structure
Product Name:1,4-Naphthalenedione,3-hydroxy-6-methyl-2-(1-methylethyl)-5-(4-methylpentyl)-
CAS No:119139-54-7
MF:C20H26O3
MW:314.418646335602
CID:159817
PubChem ID:3081180
Update Time:2025-04-19
1,4-Naphthalenedione,3-hydroxy-6-methyl-2-(1-methylethyl)-5-(4-methylpentyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,3-hydroxy-6-methyl-2-(1-methylethyl)-5-(4-methylpentyl)-
- 4-hydroxy-7-methyl-8-(4-methylpentyl)-3-propan-2-ylnaphthalene-1,2-dione
- sapriparaquinone
- 3-Hydroxy-6-methyl-2-(1-methyl)-5-(4-methylpentene-3-yl)-1,4-naphthoquinone
- 4-hydroxy-7-methyl-3-(1-methylethyl)-8-(4-methylpentyl)naphthalene-1,2-dione
- 1,4-Naphthalenedione, 3-hydroxy-6-methyl-2-(1-methylethyl)-5-(4-methylpentyl)-
- AKOS040753925
- DTXSID20922876
- 119139-54-7
- 4-Hydroxy-7-methyl-8-(4-methylpentyl)-3-(propan-2-yl)naphthalene-1,2-dione
- 3-hydroxy-2-isopropyl-6-methyl-5-(4-methylpentyl)naphthalene-1,4-dione
-
- Inchi： 1S/C20H26O3/c1-11(2)7-6-8-14-13(5)9-10-15-17(14)20(23)19(22)16(12(3)4)18(15)21/h9-12,21H,6-8H2,1-5H3
- InChI Key： TUSFIEZGKPHKMA-UHFFFAOYSA-N
- SMILES： OC1=C(C(C(C2C1=CC=C(C)C=2CCCC(C)C)=O)=O)C(C)C
Computed Properties
- Exact Mass: 314.18828
- Monoisotopic Mass: 314.188
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 501
- 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
- XLogP3: 5
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Color/Form: Solid powder
- Density: 1.11
- Boiling Point: 473.3°Cat760mmHg
- Flash Point: 254.1°C
- Refractive Index: 1.557
- PSA: 54.37
1,4-Naphthalenedione,3-hydroxy-6-methyl-2-(1-methylethyl)-5-(4-methylpentyl)- Security Information
- Signal Word：Warning
- Storage Condition：Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).
1,4-Naphthalenedione,3-hydroxy-6-methyl-2-(1-methylethyl)-5-(4-methylpentyl)- Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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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
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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
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