Ergosta-5,8,22-trien-7-one, 3-hydroxy-, (3β,22E)- structure

3D Mol Similar

Ergosta-5,8,22-trien-7-one, 3-hydroxy-, (3β,22E)-

Iupac Name：[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate

CAS No.：127-47-9

Molecular Weight：328.496

Request For Quotation

1. Names and Identifiers

1.1 Name: Ergosta-5,8,22-trien-7-one, 3-hydroxy-, (3β,22E)-

2. Properties

3.1 Melting point: 58℃

3.1 Refractive index: 1.547-1.555

3.1 Vapour pressure: 0mmHg at 25°C

3.1 Precise Quality: 328.24000

3.1 PSA: 26.30000

3.1 logP: 6.08110

3. Safety and Handling

4.1 Risk Statements: R38;R63

4.1 Safety Statements: S36/37;S45

4.1 WGK Germany: 2

4.1 RTECS: VH6825000

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H360 May damage fertility or the unborn child H413 May cause long lasting harmful effects to aquatic life
Precautionary statement(s)
Prevention	P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment.
Response	P308+P313 IF exposed or concerned: Get medical advice/ attention.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Computational chemical data

Molecular Weight：328.496g/mol
Molecular Formula：C_₁₁H_₁₀O_₂
Compound Is Canonicalized：True
XLogP3-AA：
Exact Mass：328.240230259
Monoisotopic Mass：328.240230259
Complexity：596
Rotatable Bond Count：7
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：26.3
Heavy Atom Count：24
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：4
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1

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