1,3:2,4-Di-p-methylbenzylidene sorbitol

Basic Information

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CAS Number

81541-12-0

Molecular Formula

C22H26O6

Molecular Weight

386.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

247.0-247.8 ºC

Density

1.230±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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CC1=CC=C(C=C1)C2OCC3C(O2)C(OC(O3)C4=CC=C(C=C4)C)C(CO)O

InChI

InChI=1S/C22H26O6/c1-13-3-7-15(8-4-13)21-25-12-18-20(28-21)19(17(24)11-23)27-22(26-18)16-9-5-14(2)6-10-16/h3-10,17-24H,11-12H2,1-2H3/t17-,18+,19-,20-,21?,22?/m1/s1

InChIKey

LQAFKEDMOAMGAK-RLCYQCIGSA-N

LogP

2.553440000000001

Topological Polar Surface Area

77.38000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

485

Synonyms & References

English

D-Glucitol, 1,3:2,4-bis-O-((4-methylphenyl)methylene)-
AKOS025310974
IRGACLEAR DM
CHEMBL3561699
1,3:2,4-Di-p-methylbenyliedene sorbitol
MFCD09038710
A830320
AS-15395
1,3:2,4-Di-p-methylbenzylidene sorbitol
54686-97-4
UNII-00YK2U88F9
Gel All MD
DTXCID4029983
1,3:2,4-bis-o-(4-methylbenzylidene)sorbitol
81541-12-0
DTXSID3051381
CAS-81541-12-0
NCGC00356948-01
GEL ALL MD-LM30G
Di-p-methylbenzylidenesorbitol
197809-37-3
NC-6
1,3:2,4-bis(p-methylbenzylidene)sorbitol
00YK2U88F9
(1R)-1-[(4R,4aR,8aS)-2,6-bis(4-methylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
NS00076897
Tox21_303848
SCHEMBL1966771
NA-98
Q27231383
D-Glucitol,1,3:2,4-bis-O-[(4-methylphenyl)methylene]-

MDL Number

MFCD16621291

FAQ

What regulatory guidelines apply to 1,3:2,4-Di-p-methylbenzylidene sorbitol (CAS: 81541-12-0)?

1,3:2,4-Di-p-methylbenzylidene sorbitol (CAS: 81541-12-0) is regulated under various guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA and EPA requirements in the United States. These guidelines cover safety data sheets (SDS), hazard communication, and environmental handling and disposal.

Are there alternatives to 1,3:2,4-Di-p-methylbenzylidene sorbitol in synthesis?

Alternative reagents for synthesizing similar chemical functionalities include benzylidene sorbitols with different substituents, such as 1,3:2,4-di-p-ethylbenzylidene sorbitol or 1,3:2,4-di-p-tert-butylbenzylidene sorbitol. These can serve as viable alternatives depending on the specific reaction conditions and desired product properties.

What is the market or research trend for 1,3:2,4-Di-p-methylbenzylidene sorbitol (CAS: 81541-12-0)?

The market for 1,3:2,4-Di-p-methylbenzylidene sorbitol (CAS: 81541-12-0) is driven by its use in pharmaceuticals, cosmetics, and food additives. Research trends focus on its applications in controlled drug release systems and as a functional food ingredient. Emerging trends include its potential in antiviral and antioxidant products.

How should waste containing 1,3:2,4-Di-p-methylbenzylidene sorbitol (CAS: 81541-12-0) be handled?

Waste containing 1,3:2,4-Di-p-methylbenzylidene sorbitol (CAS: 81541-12-0) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method for disposal, but environmental protection precautions must be followed to minimize emissions. Ensure compliance with local regulations and environmental standards during disposal.