Cas no 27739-29-3 (Benzoic acid,4-methoxy-, 3-methylbutyl ester)
27739-29-3 structure
Product Name:Benzoic acid,4-methoxy-, 3-methylbutyl ester
CAS No:27739-29-3
MF:C13H18O3
MW:222.280224323273
CID:260942
PubChem ID:119709
Update Time:2025-04-19
Benzoic acid,4-methoxy-, 3-methylbutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-methoxy-, 3-methylbutyl ester
- 4-Methoxybenzoic acid, 3-methylbutyl ester
- Isopentyl 4-methoxybenzoate
- isopentyl p-anisate
- SCHEMBL1989678
- CHEBI:196028
- AKOS017171397
- DTXSID00950435
- FVMBSMBXEVMMGH-UHFFFAOYSA-N
- UNII-6TV0K78U1O
- Isopentyl 4-methoxybenzoate #
- NS00050906
- i-amyl-p-methoxybenzoate
- ISOPENTYL ALCOHOL, P-ANISATE
- p-Anisic acid, isopentyl ester
- Isoamyl p-anisate
- Benzoic acid, 4-methoxy-, 3-methylbutyl ester
- 3-methylbutyl 4-methoxybenzoate
- EINECS 248-633-3
- 27739-29-3
- 6TV0K78U1O
-
- Inchi： 1S/C13H18O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-7,10H,8-9H2,1-3H3
- InChI Key： FVMBSMBXEVMMGH-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)OC)=O)CCC(C)C
Computed Properties
- Exact Mass: 222.12564
- Monoisotopic Mass: 222.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 205
- 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: 3.9
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 1.02
- Boiling Point: 310.2°Cat760mmHg
- Flash Point: 126.7°C
- Refractive Index: 1.492
- PSA: 35.53
Benzoic acid,4-methoxy-, 3-methylbutyl ester Related Literature
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
27739-29-3 (Benzoic acid,4-methoxy-, 3-methylbutyl ester) Related Products
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