CAS No.1778-02-5,Pregnenolone acetate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1778-02-5
Name:	Pregnenolone acetate
Article Data:	127

Formula:	C₂₃H₃₄O₃
Molecular Weight:	358.521
Synonyms:	Pregn-5-en-20-one,3b-hydroxy-, acetate (6CI,8CI);3b-Acetoxy-5-pregnen-20-one;3b-Hydroxypregn-5-en-20-oneacetate;3b-Pregn-5-enol-20-one acetate;5-Pregnen-3b-ol-20-one acetate;5-Pregnene-3b-acetoxy-20-one;Antofin;Artivis;Enescorb;NSC 64827;
EINECS:	217-212-6
Density:	1.09 g/cm³
Melting Point:	149-152 ºC
Boiling Point:	452.9 ºC at 760 mmHg
Flash Point:	194.2 ºC
Appearance:	white to light yellow crystalline powder
Safety:	22-24/25
PSA:	43.37000
LogP:	5.08610

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Chemistry

Molecule structure of Pregnenolone acetate (CAS NO.1778-02-5):

IUPAC Name: (17-Acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
Molecular Weight: 358.51426 g/mol
Molecular Formula: C₂₃H₃₄O₃
Density: 1.09 g/cm³
Melting Point: 149-152 °C(lit.)
Boiling Point: 452.9 °C at 760 mmHg
Flash Point: 194.2 °C
Index of Refraction: 1.533
Molar Refractivity: 101.93 cm³
Molar Volume: 328 cm³
Polarizability: 40.41×10^-24 cm³
Surface Tension: 41 dyne/cm
Enthalpy of Vaporization: 71.22 kJ/mol
Vapour Pressure: 2.16E-08 mmHg at 25 °C
XLogP3: 4.8
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 358.250795
MonoIsotopic Mass: 358.250795
Topological Polar Surface Area: 43.4
Heavy Atom Count: 26
Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
InChI: InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3
InChIKey: CRRKVZVYZQXICQ-UHFFFAOYSA-N
EINECS: 217-212-6
Product Categories: Steroids; Biochemistry; Steroids (Others)

Uses

Pregnenolone acetate (CAS NO.1778-02-5) is used as the intermediate of progesterone.

Production

Pregnenolone acetate is prepared by catalytic hydrogenation (16-bit double bonds) of Acetic acid Dehydropregnenolone.

Safety Profile

Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

Specification

Pregnenolone acetate (CAS NO.1778-02-5) is also named as (3b)-20-Oxopregn-5-en-3-yl acetate ; (3beta)-20-Oxopregn-5-en-3-yl acetate ; 3beta-Hydroxypregn-5-en-20-one acetate ; Pregn-5-en-20-one, 3- (acetyloxy)-, (3.beta.)- ; Pregn-5-en-20-one, 3-(acetyloxy)-, (3.beta.)- ; pregn-5-en-20-one, 3-(acetyloxy)-, (3beta)- ; Pregn-5-en-20-one, 3.beta.-hydroxy-, acetate ; 3beta-Acetoxy-5-pregnen-20-one . Pregnenolone acetate (CAS NO.1778-02-5) is white to light yellow crystalline powder.