Cas no 5451-88-7 (Pentanoic acid,3-phenylpropyl ester)
5451-88-7 structure
Product Name:Pentanoic acid,3-phenylpropyl ester
Pentanoic acid,3-phenylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,3-phenylpropyl ester
- 3-phenylpropyl pentanoate
- 3-phenylpropyl valerate
- 3-phenyl-1-propyl pentanoate
- Valeric acid,3-phenylpropyl ester
- Q27269578
- DTXSID60202927
- OKFJJLRWQHMYCM-UHFFFAOYSA-N
- 1-PROPANOL, 3-PHENYL-, VALERATE
- AKOS017089931
- NS00033110
- Valeric acid, 3-phenylpropyl ester
- 5451-88-7
- EINECS 226-690-5
- NSC21873
- 3-Phenylpropyl pentanoate #
- 8528917KSG
- SCHEMBL3506216
- NSC-21873
- NSC 21873
- 3-phenylprop-1-yl n-pentanoate
- UNII-8528917KSG
- Pentanoic acid, 3-phenylpropyl ester
-
- Inchi： 1S/C14H20O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
- InChI Key： OKFJJLRWQHMYCM-UHFFFAOYSA-N
- SMILES： O(C(CCCC)=O)CCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 220.14600
- Monoisotopic Mass: 220.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 183
- 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: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 3.35260
Pentanoic acid,3-phenylpropyl ester Customs Data
- HS CODE：2915600000
- Customs Data：
China Customs Code:
2915600000Overview:
HS:2915600000 butyrate\Valeric acid, its salts and esters VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
Pentanoic acid,3-phenylpropyl ester Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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