Quillaic acid

Basic Information

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CAS Number

631-01-6

Molecular Formula

C30H46O5

Molecular Weight

486.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

294 ºC

Boiling Point

613.3℃ at 760 mmHg

Density

1.18±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (7.8E-4 g/L) (25 ºC),

Refractive Index

1.5800 (estimate)

Specific Rotation

D20 +56.1° (c = 2.9 in pyridine)

SMILES

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O=C[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@@H](O)[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C

InChI

InChI=1S/C30H46O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1

InChIKey

MQUFAARYGOUYEV-UAWZMHPWSA-N

LogP

5.383400000000005

Topological Polar Surface Area

94.83 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

970

Safety Information

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Storage Conditions

N/A

Synonyms & References

English

Olean-12-en-28-oicacid, 3,16-dihydroxy-23-oxo-, (3b,4a,16a)-
(4aR,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Quillaic Acid
Quillaja sapogenin
AC1L2RL5
AC1Q5QZ6
AR-1L2905
CHEBI:8710
CHEMBL260060
EINECS 211-149-8
Quillajasaeure
(3beta,4alpha,16alpha)-3,16-Dihydroxy-23-oxoolean-12-en-28-oic acid
69O8E4G02B
quillaic-acid
Quillaic acid(Quillaja sapogenin)
LMPR0106150037
C08972
(4aR,5R,6aS,6bR,8aR,
Quillaic acid

MDL Number

MFCD22479218

FAQ

What are the physical and chemical properties of Quillaic acid (CAS: 631-01-6)?

Quillaic acid (CAS: 631-01-6) is a white crystalline solid with a molecular weight of approximately 168.15 g/mol. It is slightly soluble in water but more soluble in organic solvents. Chemically, it is reactive towards bases and can undergo hydrolysis. It is a dicarboxylic acid with two carboxylic acid groups.

How is Quillaic acid (CAS: 631-01-6) typically synthesized?

Quillaic acid is usually synthesized via a multi-step process involving the condensation of 2-oxobutyric anhydride with other organic compounds, followed by catalytic reduction and acidification. Common catalysts include metallic sodium and zinc. The yield and selectivity are typically high, making it a viable commercial synthesis route.

What industries use Quillaic acid (CAS: 631-01-6)?

Quillaic acid is utilized in the pharmaceutical industry for the synthesis of certain drugs, particularly in the modification of biomolecules. It is also used in polymer chemistry for the production of specialized polymers with tailored properties. Additionally, it has applications in sensors for detecting specific chemicals and in the development of semiconductors.

What precautions should be taken when handling Quillaic acid (CAS: 631-01-6)?

When handling Quillaic acid (CAS: 631-01-6), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to avoid inhalation. Spills should be carefully cleaned up with appropriate absorbents, and proper disposal methods should be followed according to the Material Safety Data Sheet (MSDS).