Hexanoic acid 3-phenylpropyl ester

Modify Date: 2025-08-24 08:40:52

Hexanoic acid 3-phenylpropyl ester Structure
Hexanoic acid 3-phenylpropyl ester structure
Common Name Hexanoic acid 3-phenylpropyl ester
CAS Number 6281-40-9 Molecular Weight 234.33400
Density 0.971g/cm3 Boiling Point 330ºC at 760 mmHg
Molecular Formula C15H22O2 Melting Point N/A
MSDS N/A Flash Point 119.9ºC

 Names

Name 3-phenylpropyl hexanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.971g/cm3
Boiling Point 330ºC at 760 mmHg
Molecular Formula C15H22O2
Molecular Weight 234.33400
Flash Point 119.9ºC
Exact Mass 234.16200
PSA 26.30000
LogP 3.74270
Index of Refraction 1.492
InChIKey RSOGLEKUVSFLMO-UHFFFAOYSA-N
SMILES CCCCCC(=O)OCCCc1ccccc1

 Synthetic Route

~97%

Hexanoic acid 3-phenylpropyl ester Structure

Hexanoic acid 3...

CAS#:6281-40-9

Literature: Kawabata, Tomonori; Mizugaki, Tomoo; Ebitani, Kohki; Kaneda, Kiyotomi Tetrahedron Letters, 2003 , vol. 44, # 51 p. 9205 - 9208

~82%

Hexanoic acid 3-phenylpropyl ester Structure

Hexanoic acid 3...

CAS#:6281-40-9

Literature: Yamaguchi, Masahiko; Tsukamoto, Yukiharu; Minami, Toru Chemistry Letters, 1990 , # 7 p. 1223 - 1226

 Hexanoic acid 3-phenylpropyl esterBioassay

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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

3-phenyl-1-propyl hexanoate
Hydrocinnamyl caproate
Hexanoic acid,3-phenylpropyl ester
3-Phenylpropyl caproate
Hydrocinnamyl hexanoate
3-Phenyl propyl hexanoate
FEMA No. 2896
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