Cas no 5421-17-0 (Benzeneacetic acid,hexyl ester)
5421-17-0 structure
Product Name:Benzeneacetic acid,hexyl ester
CAS No:5421-17-0
MF:C14H20O2
MW:220.307404518127
CID:367556
Update Time:2025-04-19
Benzeneacetic acid,hexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,hexyl ester
- hexyl 2-phenylacetate
- HEXYL-PHENYLACETATE
- Hexyl benzeneacetate
- Hexyl phenylacetate
- n-Hexyl phenylacetate
- n-Hexyl-phenylacetat
- phenyl-acetic acid hexyl ester
- Phenyl-essigsaeure-hexylester
- UNII-9OMY0L6TTU
-
- Inchi： 1S/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
- InChI Key： MTAHGWGAEGVCLS-UHFFFAOYSA-N
- SMILES： CCCCCCOC(CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 220.14600
- Monoisotopic Mass: 220.14633
- 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
- Topological Polar Surface Area: 26.3
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- Density: 0.97?g/mL?at 25?°C(lit.)
- Boiling Point: 264-265?°C(lit.)
- Flash Point: >230?°F
- Refractive Index: n20/D 1.485(lit.)
- PSA: 26.30000
- LogP: 3.35260
- FEMA: 3457 | HEXYL PHENYLACETATE
Benzeneacetic acid,hexyl ester Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Benzeneacetic acid,hexyl ester Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
5421-17-0 (Benzeneacetic acid,hexyl ester) Related Products
- 4606-15-9(Benzeneacetic acid,propyl ester)
- 122-43-0(Butyl 2-phenylacetate)
- 14062-19-2(Ethyl p-Tolylacetate)
- 101-97-3(Ethyl phenylacetate)
- 102-19-2(Isopentyl 2-phenylacetate)
- 103-52-6(Phenethyl butyrate)
- 36076-26-3(1,4-Phenylenediacetic Acid Diethyl Ester)
- 40061-55-0(Ethyl m-tolylacetate)
- 5137-52-0(Pentyl phenylacetate)
- 102-20-5(2-Phenylethyl 2-Phenylacetate)
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