Retinol acetate

Retinol acetate
Compound Structure:
Synonyms: RETINYL ACETATE ;Vitamin A acetate ;127-47-9; Retinol acetate
Compound ID: NMPC-1450
PubChem ID:

638034

Molecular Formula: C22H32O2
Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C
InChIKey: QGNJRVVDBSJHIZ-QHLGVNSISA-N
About the compound:

Retinyl Acetate is a naturally-occurring fatty acid ester form of retinol (vitamin A) with potential antineoplastic and chemopreventive activities. Retinyl acetate binds to and activates retinoid receptors, inducing cell differentiation and decreasing cell proliferation. This agent also inhibits carcinogen-induced neoplastic transformation in some cancer cell types and exhibits immunomodulatory properties. (NCI04) Retinyl acetate (retinol acetate, vitamin A acetate) is a natural[dubious – discuss] form of vitamin A which is the acetate ester of retinol. It has potential antineoplastic and chemopreventive activities [2][3]. In the United States, retinyl acetate is classified generally recognized as safe (GRAS) in the amounts used to fortify foods with vitamin A.[4][5]

GHS Hazard Statements

H315 (68.54%): Causes skin irritation [Warning Skin corrosion/irritation]

H360 (57.3%): May damage fertility or the unborn child [Danger Reproductive toxicity]

H361 (41.85%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

H413 (62.92%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

328.5 g/mol

XLogP3

6.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

7

Exact Mass

328.240230259 g/mol

Monoisotopic Mass

328.240230259 g/mol

Topological Polar Surface Area

26.3Ų

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

Compound Is Canonicalized

Yes

Source: PubChem                        
Source Species: Hippocratea indica
Download SDF