Basic information
- CAS
20115-23-5- Standard SMILES
CCCCC(=O)Oc1ccccc1- InChIKey
MVIMPQVBUPCHEV-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- Phenyl pentanoate
- IUPAC
- phenyl pentanoate
- English name
- Phenyl valerate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
PHENYL PENTANOATEPhenyl valerate20115-23-5DTXSID50173930RefChem:172974DTXCID6096421243-521-0Pentanoic acid, phenyl esterValeric acid, phenyl esterpentanoic acid phenyl esterMFCD00798813EINECS 243-521-0
Show more names
PHENYLRARECHEM AX KI 1036Phenyl valerate@100 μg/mL in Methanol
Phenyl pentanoate #propyl phenyl acetateSCHEMBL643462SCHEMBL1660417SCHEMBL5145655SCHEMBL6247098SCHEMBL6247100SCHEMBL7275710
Database identifiers
- CAS
20115-23-5- PubChem CID
- 29950
- DTXSID
DTXSID50173930- EC Number
- 243-521-0
- Nikkaji
- J113.634H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesDielectric constant
Physical DescriptionClear colorless liquid; [AccuStandard MSDS]
Physicochemical properties
- Boiling point
- 270.46 °C · 270.46°C (rough estimate)
- Density
- 1.0292 · 1.0292 (rough estimate)
- refractive index
- 1.524 · 1.5240 (estimate)
- solubility
- Chloroform (Soluble), DMSO (Slightly), Methanol (Sparingly)
- form
- Oil
- color
- Colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryAn irritant; [AccuStandard MSDS] See Methyl cinnamate. See 2-Phenylethyl propionate.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesLabelled intermediate for the synthesis of Ritalinic Acid-d10.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers22 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
ANHUI BYERSEN BIOTECH CO. LTD+8617355064950 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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