[(1S,2R,7R,9R,10R,11S,12R)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

Basic Information

View in Editor

CAS Number

2270-40-8

Molecular Formula

C19H26O7

Molecular Weight

366.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

162-164 ºC

Boiling Point

407.62°C (rough estimate)

Flash Point

2 °C

Refractive Index

1.4790 (estimate)

SMILES

View in Editor

CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C

InChI

InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19-/m1/s1

InChIKey

AUGQEEXBDZWUJY-ZLJUKNTDSA-N

LogP

1.1248999999999998

Topological Polar Surface Area

94.59 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

687

Safety Information

View Safety Information

GHS Hazard Pictograms

H225

H302

H312

H319

H332

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1(a) Class 6.1(a)

Sensitiveness

Sensitive to light

Synonyms & References

English

NSC 141537
12,13-Epoxytrichothec-9-ene-3alpha,4beta,15-triol 4,15-diacetate
1ST7223-100A
[(1S,2R,7R,9R,10R,11S,12S)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
4,15-Diacetoxyscirp-9-en-3-ol
Anguidine
Trichothec-9-ene-3.alpha.,4.beta.,15-triol, 12,13-epoxy-, 4,15-diacetate
1ST7223
BDBM68181
CCRIS 3536
CHEMBL433680
Scirp-9-ene-3alpha,4beta,15-triol, 4,15-diacetate
HMS2269N24
MM 4462
HY-N6692
Anguidin
Diacetoxyscirpenol
C09662
cid_15571694
2270-40-8
Diacetoxyscirpenol solution in Acetonitrile, 100ug/mL
109547-11-7
3-alpha-Hydroxy-4-beta,15-diacetoxy-12,13-epoxytrichothec-9-ene
CS-0081332
Trichothec-9-ene-3alpha,4beta,15-triol, 12,13-epoxy-, 4,15-diacetate
EINECS 218-873-3
MEGxm0_000187
NSC-141537
ACon1_002033
4beta,15-Diacetoxy-3alpha-hydroxy-12,13-epoxytrichothec-9-ene
NCGC00179895-01

MDL Number

MFCD00866334

Customs Code

29329990

FAQ

What regulatory guidelines apply to [(1S,2R,7R,9R,10R,11S,12R)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate (CAS: 2270-40-8)?

The compound is subject to GHS classification, REACH regulations, and FDA/EPA requirements. GHS categorizes the compound based on its health and environmental hazards, and REACH regulations require registration and risk management for substances above one tonne annually. FDA and EPA regulations govern its use in commercial and residential products.

Are there alternatives to [(1S,2R,7R,9R,10R,11S,12R)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate (CAS: 2270-40-8) in synthesis?

Alternative reagents such as similar spirooxirane derivatives or other functionalized cyclohexenes can be used as substitutes. Isomers of the compound or analogs like 11-hydroxy-10-acetyloxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate can also serve as viable alternatives in synthesis.

What is the market or research trend for [(1S,2R,7R,9R,10R,11S,12R)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate (CAS: 2270-40-8)?

Market trends indicate increasing demand for this compound in pharmaceutical applications and advanced materials. Research is focusing on its potential in drug synthesis and as a precursor in polymer chemistry. The compound's unique properties make it a focus in emerging fields such as nanotechnology and biodegradable polymers.

How should waste containing [(1S,2R,7R,9R,10R,11S,12R)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate (CAS: 2270-40-8) be handled?

Waste containing this compound should be collected, stored, and disposed of according to local regulations. Collection should be done using appropriate containers, and the waste should be incinerated or disposed of by a professional hazardous waste disposal service. Environmental protection measures include proper containment to prevent leaks and regular monitoring of the waste storage area.