(5,5-Dimethyl-2-oxotetrahydro-3-furanyl)acetic acid | CAS No. 412298-86-3

Basic Information

(5,5-Dimethyl-2-oxotetrahydro-3-furanyl)acetic acid

CAS Number

412298-86-3

Molecular Formula

C8H12O4

Molecular Weight

172.18 g/mol

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Basic Physical Properties

Melting Point

141-143 °C

Boiling Point

140-180 °C(Press: 2 Torr)

Density

1.172±0.06 g/cm3(Predicted)

SMILES

CC1(CC(C(=O)O1)CC(=O)O)C

InChI

InChI=1S/C8H12O4/c1-8(2)4-5(3-6(9)10)7(11)12-8/h5H,3-4H2,1-2H3,(H,9,10)

InChIKey

XDUMFQUFEARYLP-UHFFFAOYSA-N

LogP

0.8028

pKa

4.33±0.10(Predicted)

Topological Polar Surface Area

63.599999999999994 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

219

Classification & Uses

Chemical Classification

Pharmaceutical Products
APIs & Intermediates
Intermediates

Safety Information

Hazard Class

IRRITANT

Synonyms & References

English

  • BB 0261008
  • ChemDiv2_000726
  • 2-(5,5-dimethyl-2-oxooxolan-3-yl)acetic acid
  • Z1198157037
  • SMR000123336
  • 2-(5,5-Dimethyl-2-oxotetrahydrofuran-3-yl)aceticacid
  • 2-carboxymethyl-4-methyl-4-pentanolide
  • (5,5-Dimethyl-2-oxo-tetrahydro-furan-3-yl)-acetic acid
  • SCHEMBL1966001
  • (5,5-Dimethyl-2-oxo-tetrahydrofuran-3-yl)acetic acid
  • (5,5-dimethyl-2-oxooxolan-3-yl)acetic acid
  • 412298-86-3
  • EU-0043729
  • CHEMBL1597771
  • AKOS001639078
  • CS-0253385
  • HMS1371A22
  • EN300-6414939
  • MLS000523358
  • (5,5-Dimethyl-2-oxo-tetrahydro-furan-3-yl)-aceticacid
  • HMS2407D24
  • (5,5-Dimethyl-2-oxotetrahydro-3-furanyl)acetic acid, AldrichCPR
  • FT-0644596
  • 2-(5,5-Dimethyl-2-oxotetrahydrofuran-3-yl)acetic acid
  • DTXSID10389737
  • 3-Furanacetic acid,tetrahydro-5,5-dimethyl-2-oxo-
  • (5,5-DIMETHYL-2-OXO-TETRAHYDRO-FURAN-3-YL)-ACETIC ACID
  • Zinc00178389
  • Zinc00178391
  • (5,5-Dimethyl-2-oxotetrahydro-3-furanyl)acetic acid
  • 3-Furanacetic acid, tetrahydro-5,5-dimethyl-2-oxo-

MDL_Number

MFCD01549292

CAS Number

412298-86-3

Customs_Code

2932209090

Supplier Information

Supplier Name Member Level Authentication Status Main Category MOQ Action
ChinaChina - Shanghai Yuyeh Biotechnology Co., Ltd.