Basic information
- CAS
94800-92-7- Standard SMILES
CCOC(=O)C(C)(C)Cc1ccccc1- InChIKey
XJJKGOJHTCRWNX-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067982
Names & identifiers
- Preferred name
- Ethyl 2,2-dimethyl-3-phenylpropanoate
- IUPAC
- ethyl 2,2-dimethyl-3-phenylpropanoate
- English name
- Ethyl 2,2-dimethyl-3-phenylpropionate
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28
Names & synonyms
ethyl 2,2-dimethyl-3-phenylpropanoate94800-92-7DTXSID90405540RefChem:342155DTXCID60356393ETHYL 2,2-DIMETHYL-3-PHENYLPROPIONATEEthyl2,2-dimethyl-3-phenylpropanoateEthyl 2,2-dimethyl-3-phenyl-propanoateETHYL2,2-DIMETHYL-3-PHENYLPROPIONATESCHEMBL1492859MFCD03425563AKOS015998877
Show more names
Ethyl 2,2-dimethyl -3-phenylpropanoatea,a-Dimethyl-benzenepropanoic Acid Ethyl Esterα,α-DiMethyl-benzenepropanoic Acid Ethyl EsterBenzenepropanoic acid, α,α-dimethyl-, ethyl ester
ETHYL 2,2-DIMETHYL-3-PHENYLPROPIONATE;a,a-Dimethyl-benzenepropanoic Acid Ethyl Ester;Ethyl 2,2-dimethyl -3-phenylpropanoate
Database identifiers
- CAS
94800-92-7- PubChem CID
- 4684633
- DTXSID
DTXSID90405540- Nikkaji
- J510.610I
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
- 15
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless
Chemistry & industry
Applications
UsesEthyl 2,2-Dimethyl-3-phenylpropionate (cas# 94800-92-7) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers17 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
Related reactions
6 records
Compound notes
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