Cas no 74367-34-3 (Propanoic acid,2-methyl-, 3-hydroxy-2,4,4-trimethylpentyl ester)
74367-34-3 structure
Product Name:Propanoic acid,2-methyl-, 3-hydroxy-2,4,4-trimethylpentyl ester
CAS No:74367-34-3
MF:C12H24O3
MW:216.317164421082
CID:556359
PubChem ID:551387
Update Time:2025-04-19
Propanoic acid,2-methyl-, 3-hydroxy-2,4,4-trimethylpentyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-methyl-, 3-hydroxy-2,4,4-trimethylpentyl ester
- PROPANOICACID,2-METHYL-,3-HYDROX
- 3-Hydroxy-2,2,4-trimethylpentyl ester of isobutanoic acid
- 3-hydroxy-2,4,4-trimethylpentyl 2-methyl-propanoate
- 3-Hydroxy-2,4,4-trimethylpentyl ester of 2-methyl-propanoic acid
- 3-Hydroxy-2,4,4-trimethylpentyl-ester-2-methyl-propanoic acid
- (3-hydroxy-2,4,4-trimethylpentyl) 2-methylpropanoate
- NS00076570
- 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate
- DTXSID70881202
- 2-methylpropanoic acid 3-hydroxy-2,4,4-trimethylpentyl ester
- 3-HYDROXY-2,4,4-TRIMETHYLPENTYL-2-METHYLPROPANOATE
- Propanoic acid, 2-methyl-, 3-hydroxy-2,4,4-trimethylpentyl ester
- CHEBI:145718
- 74367-34-3
- SCHEMBL4671992
- 2,4,4-Trimethyl-1,3-pentanediol 1-isobutyrate
-
- Inchi： 1S/C12H24O3/c1-8(2)11(14)15-7-9(3)10(13)12(4,5)6/h8-10,13H,7H2,1-6H3
- InChI Key： WXFRFCWHHBELIH-UHFFFAOYSA-N
- SMILES： OC(C(C)COC(C(C)C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 216.17262
- Monoisotopic Mass: 216.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 203
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Propanoic acid,2-methyl-, 3-hydroxy-2,4,4-trimethylpentyl ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
74367-34-3 (Propanoic acid,2-methyl-, 3-hydroxy-2,4,4-trimethylpentyl ester) Related Products
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