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Home> Encyclopedia >Vitamins, Amino Acids and Coenzymes>Pharmaceutical Intermediates>Nutrition Enhancers
Retinyl acetate structure
Retinyl acetate structure

Retinyl acetate

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
Modify Date.: 2023-02-20 07:00
Introduction: Retinyl acetate (retinol acetate, vitamin A acetate) is a natural form of vitamin A. It is the acetate ester of retinol. It consists of yellow crystals which are greasy or sticky. It has a mild, characteristic odor. It has potential antineoplastic and chemo-preventive activities. It can be used to fortify food with vitamin A. As vitamin A acetate can induce cell differentiation and inhibit cell proliferation, it is used in skin-conditioning agent. View more+
1. Names and Identifiers
1.1 Name
Retinyl acetate
1.2 Synonyms

(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetate (9cis)-O15-Acetylretinol 3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAEN-1-YL ACETATE acetic acid [3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester all-trans-Vitamin Aacetate Arovit Dry Vitamin A Acetate 325CWS/A MFCD00019413 Myvak Myvax NH25735 NSC 122760 O15-Acetylretinol Retinol acetate Retinol, O15-acetyl- Retinol, O15-acetyl-, (9cis)- Retinol,acetate, all-trans- (8CI) Rovimix A 1000 trans-Retinol acetate VITAMIN A ACETATE

1.3 CAS No.
127-47-9
1.4 CID
638034
1.5 EINECS(EC#)
204-844-2
1.6 Molecular Formula
C22H32O2 (isomer)
1.7 Inchi
InChI=1S/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+
1.8 InChkey
QGNJRVVDBSJHIZ-QHLGVNSISA-N
1.9 Canonical Smiles
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C
1.10 Isomers Smiles
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C
2. Properties
2.1 Density
0.968
2.1 Melting point
58℃
2.1 Boiling point
440.5 oC at 760 mmHg
2.1 Refractive index
1.547-1.555
2.1 Flash Point
124.8 oC
2.1 Precise Quality
328.24000
2.1 PSA
26.30000
2.1 logP
6.08110
2.1 Solubility
absolute ethanol: 25?mg/mL
2.2 Appearance
crystalline
2.3 Storage
Air Sensitive. Store under Nitrogen. Hygroscopic. Light Sensitive. Keep Cold.
2.4 Chemical Properties
Crystalline
2.5 Color/Form
Yellow powder
2.6 Odor
Amine like
2.7 Water Solubility
soluble
2.8 StorageTemp
2-8°C
3. Use and Manufacturing
3.1 GHS Classification
Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 234 companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 1 of 234 companies. For more detailed information, please visit ECHA C&L website

Of the 18 notification(s) provided by 233 of 234 companies with hazard statement code(s):

H315 (69.53%): Causes skin irritation [Warning Skin corrosion/irritation]
H360 (62.23%): May damage fertility or the unborn child [Danger Reproductive toxicity]
H361 (36.91%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
H413 (68.67%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P201, P202, P264, P273, P280, P281, P302+P352, P308+P313, P321, P332+P313, P362, P405, and P501
3.2 Purification Methods
The acetate is separated from retinol by column chromatography, then crystallised from MeOH. [Kofler and Rubin Vitamins and Hormones (NY) 18 315 1960 for purification methods]. Store it in the dark, under N2 or Ar, at 0o. [Beilstein 6 IV 4135.] Retinyl acetateSupplier
3.3 Usage
vitamin precursor
4. Safety and Handling
4.1 Hazard Codes
Xn
4.1 Risk Statements
R38;R63
4.1 Safety Statements
S36/37;S45
4.1 Safety Profile
Moderately toxic byingestion. Experimental teratogenic andreproductive effects. Questionablecarcinogen with experimental neoplastigenicdata. Mutation data reported. When heatedto decomposition it emits acrid smoke andirritating fumes. See also VITAMIN A.
4.2 WGK Germany
2
4.2 RTECS
VH6825000
4.2 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

4.3 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.

4.4 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 432mg/kg (432mg/kg) ? United States Patent Document. Vol. #3878202,
mouse LD50 oral 4100mg/kg (4100mg/kg) ? Journal of the American Academy of Dermatology. Vol. 6, Pg. 652, 1982.

5. 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

7. Synthesis Route
8. Computational chemical data
  • Molecular Weight: 328.496g/mol
  • Molecular Formula: C22H32O2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADgCggAICCAAABACIAiDSCAAAAAAgAAAICAAAAAgIBAIAIQACEAAAgAAIoAMAgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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