ChemicalBook--->CAS DataBase List--->77-54-3

77-54-3

77-54-3 Structure

77-54-3 Structure
IdentificationMore
[Name]

Cedryl acetate
[CAS]

77-54-3
[Synonyms]

CEDARWOOD ACETATE
Cedran-8-yl acetate
CEDRENYL ACETATE
CEDRENYL ACETATE SPECIAL
CEDROL ACETATE
(+)-CEDRYL ACETATE
CEDRYL ACETATE
CEDRYL ACETATE P50
OCTAHYDRO-3,6,8,8-TETRAMETHYL-1H-3A,7-METHANOAZULEN-6-YL ACETATE
OCTAHYDRO-3,6,8,8-TETRAMETHYL-1H-3ALPHA,7-METHANOAZULEN-6-YL ACETATE
1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate
1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, [3R-(3alpha,3abeta,6alpha,7beta,8aalpha)]-
1h-3a,7-methanoazulen-6-ol,octahydro-3,6,8,8-tetramethyl-,acetate,[3theta-(
7-Methanoazulen-6-ol,octahydro-3,6,8,8-tetramethyl-,acetate,[3R-(3.alpha.,3a.beta.,6.alpha.,7.be1H-3a
7-methanoazulen-6-ol,octahydro-3,6,8,8-tetramethyl-1h-3acetate
8betaH-Cedran-8-ol, acetate
8-beta-h-cedran-8-ol,acetate
Acetic acid, cedrol ester
aceticacid,cedrolester
Cedranyl acetate
[EINECS(EC#)]

201-036-1
[Molecular Formula]

C17H28O2
[MDL Number]

MFCD00077764
[Molecular Weight]

264.4
[MOL File]

77-54-3.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless liquid; light cedar odor. Soluble in one volume of 90% alcohol. Combustible.
[Melting point ]

44-46 °C
[Boiling point ]

>200 °C(lit.)
[density ]

0.999 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.499(lit.)
[Fp ]

200 °F
[storage temp. ]

2-8°C
[form ]

Solid
[color ]

White to off-white
[Odor]

at 100.00 %. sharp dry woody cedar
[Odor Type]

woody
[Optical Rotation]

[α]20/D +26±1°, c = 1% in ethanol
[BRN ]

2052432
[Cosmetics Ingredients Functions]

PERFUMING
[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
[InChIKey]

HQKQRXZEXPXXIG-DTWJZALFSA-N
[SMILES]

C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)OC(C)=O
[LogP]

6.210
[Uses]

Perfumery.
[CAS DataBase Reference]

77-54-3(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-3a,7-methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, [3r-(3«alpha»,3a«beta»,6«alpha»,7«beta»,8a«alpha»)]-(77-54-3)
[EPA Substance Registry System]

77-54-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315
[Precautionary statements ]

P280
[Hazard Codes ]

Xi
[Risk Statements ]

38
[WGK Germany ]

2
[RTECS ]

FJ1680000
[F ]

9
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Skin Irrit. 2
[Toxicity]

LD50 oral in rat: 44750mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Cedrol
[Preparation Products]

(-)-alpha-Cedrene-->(+)-beta-Cedrene
Hazard InformationBack Directory
[Chemical Properties]

Cedryl Acetate occurs in cedarwood oils. The pure compound is crystalline (mp 80 °C). Commercial cedryl acetate is a colorless to amber liquid, with a cedarwood-like odor. It is prepared by esterification of the cedrol-rich fraction from cedarwood oil and is used in perfumery for wood and leather notes and as a fixative.
[Chemical Properties]

Colorless liquid; light cedar odor. Soluble in one volume of 90% alcohol. Combustible.
[Occurrence]

Has apparently not been reported to occur in nature
[Definition]

ChEBI:Cedryl acetate is a cedrane sesquiterpenoid.
[Preparation]

By the acetylation of cedrol and related fractions of oil of cedarwood
[General Description]

(+)-Cedryl acetate is a sesquiterpene compound, which is derived from natural oils found to be volatile in nature.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

77-54-3(sigmaaldrich)
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