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Retinyl acetate ( CASNO:127-47-9 )

Identification and Related Records
Name:
Retinyl acetate
CAS Registry number:
127-47-9
Synonyms:
Retinol,acetate, all-trans- (8CI)
Myvak
Myvax
Vitamin A acetate
Vitamin A1 acetate
all-trans-Retinol acetate
all-trans-Retinyl acetate
all-trans-Vitamin Aacetate
trans-Retinol acetate
trans-Retinyl acetate
EINECS(EC#):
204-844-2
Molecular Formula:
C22H32O2
Molecular Weight:
328.49
Inchi:
InChI=1/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
InChIKey:
QGNJRVVDBSJHIZ-QHLGVNSISA-N
Canonical SMILES:
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C
Isomers smiles:
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C
Chemical and Physical Properties
Appearance:
crystalline
Density:
0.968 g/cm3
Melting Point:
58℃
Boiling Point:
440.5 oC at 760 mmHg
Vapour:
0mmHg at 25°C
Refractive Index:
1.547-1.555
Flash Point:
124.8 oC
Water:
soluble
Solubilities:
soluble in water
Stability:
No data.
Storage temp:
2-8°C
Computed Properties:
Molecular Weight:328.48828 [g/mol]
Molecular Formula:C22H32O2
XLogP3:6.3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:7
Exact Mass:328.24023
MonoIsotopic Mass:328.24023
Topological Polar Surface Area:26.3
Heavy Atom Count:24
Formal Charge:0
Complexity:596
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:4
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:3
Feature 3D Ring Count:1
Effective Rotor Count:7.8
Conformer Sampling RMSD:0.8
CID Conformer Count:210
Safety and Handling
Hazard Codes:
Xn:Harmful
Risk Statements:
R38;R63
Safety Statements:
S36/37;S45
Safety:
Hazard Codes:?HarmfulXn,IrritantXi
Risk Statements: 38-63-36/37/38?
R38:Irritating to skin.?
R63:Possible risk of harm to the unborn child.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 36/37-45-37/39-26?
S36/37:Wear suitable protective clothing and gloves.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S37/39:Wear suitable gloves and eye/face protection.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 2
RTECS of Retinyl acetate (CAS NO.127-47-9): VH6825000
Specification:
?Retinyl acetate (CAS NO.127-47-9), its Synonyms are Acetic acid, retinyl ester ; Vitamin A acetate ; Retinol, acetate, all-trans- ; Vitamin A alcohol acetate ; Vitamin A ester ; Vitamin A1 acetate ; Retinol, acetate, all-trans- (8CI) ; all-trans-Retinylacetate ; all-trans-Vitamin A acetate . It is crystalline.
Use and Manufacturing
Usage:
Essential micronutrient
Biomedical Effects and Toxicity
Pharmacological Action:
- Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.
- Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved.
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