77-54-3

Name Cedryl acetate
CAS 77-54-3
EINECS(EC#) 201-036-1
Molecular Formula C17H28O2
MDL Number MFCD00077764
Molecular Weight 264.4
MOL File 77-54-3.mol
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Chemical Properties

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)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315
Precautionary statements  P280
Hazard Codes  Xi
Risk Statements 
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

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