CAS Number77-54-3
SynonymsCedran-8-yl acetate; Cedryl acetate; CEDARWOOD ACETATE; CEDRYL ACETATE P50; MFCD00077764; cedrylactate; 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate; Cedranyl acetate; Cedrylacetat; Credrol acetate; EINECS 201-036-1
Molecular FormulaC17H28O2
Molecular Weight264.403
Purity98%
Density1.0±0.1 g/cm3
Boiling Point291.7±8.0 °C at 760 mmHg
Melting Point44-46 °C
AppearanceColorless to brown thick liquid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 77-54-3 |
| Catalog No. | 2A-9009619 |
| Chinese Name | 乙酸柏木酯 |
| Synonyms | Cedran-8-yl acetate; Cedryl acetate; CEDARWOOD ACETATE; CEDRYL ACETATE P50; MFCD00077764; cedrylactate; 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate; Cedranyl acetate; Cedrylacetat; Credrol acetate; EINECS 201-036-1 |
| Molecular Formula | C17H28O2 |
| Molecular Weight | 264.403 |
| Purity | 98 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 291.7±8.0 °C at 760 mmHg |
| Melting Point | 44-46 °C |
| Appearance | Colorless to brown thick liquid |
| Storage Condition | Warehouse low temperature ventilation and drying |
| Application | Cedryl acetate is a tricyclic sesquiterpene isolated from the strawberry guava (Psidium caudatum) plant. Cedryl acetate displays alpha-glucosidase inhibitory activity. |
| HTC | 2915390090 |
| SMILES | CC(=O)OC1(C)CCC23CC1C(C)(C)C2CCC3C |
| InChI | InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14?,16?,17?/m1/s1 |
| InChI Key | HQKQRXZEXPXXIG-UHFFFAOYSA-N |
| Use of | Cedryl acetate is a tricyclic sesquiterpene isolated from the plant Psidium caudatum. Cedryl acetate shows α-glucosidase inhibitory activity[1]. Properties Name Cedryl acetate Synonym More Synonyms Cedryl acetate Biological Activity Description Cedryl acetate is a tricyclic sesquiterpene isolated from the plant Psidium caudatum. Cedryl acetate shows α-glucosidase inhibitory activity[1]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease References [1]. Sultan S, et al. Fungal transformation of cedryl acetate and α-glucosidase inhibition assay, quantum mechanical calculations and molecular docking studies of its metabolites. Eur J Med Chem. 2013 Apr;62:764-70. Chemical & Physical Properties Molecular Formula C17H28O2 Exact Mass 264.208923 PSA 26.30000 Index of Refraction 1.503 InChIKey HQKQRXZEXPXXIG-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 8-beta-H-Cedran-8-ol, acetate CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C17-H28-O2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : L65 B5 A 1B K BXTJ EDV1 E1 G1 G1 K1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,847,1974 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Skin and Appendages - hair REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,847,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84086 No. of Facilities: 53 (estimated) No. of Industries: 3 No. of Occupations: 30 No. of Employees: 4405 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84086 No. of Facilities: 3722 (estimated) No. of Industries: 14 No. of Occupations: 24 No. of Employees: 39484 (estimated) No. of Female Employees: 25142 (estimated) Safety Information Hazard Codes Xi Risk Phrases 38 WGK Germany 2 RTECS FJ1680000 HS Code 2915390090 Synthetic Route Total: 1 Page Isopropenyl acetate CAS#:108-22-5 (+)-Cedrol CAS#:77-53-2 Cedryl acetate CAS#:77-54-3 Literature: Tetrahedron Letters, , vol. 27, # 34 p. 4059 - 4062 Precursor & DownStream Precursor 2 CAS#:108-22-5 Isopropenyl acetate CAS#:77-53-2 (+)-Cedrol DownStream 2 CAS#:546-28-1 (+)-beta-Cedrene CAS#:469-61-4 (-)-alpha-Cedrene |
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