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Cedryl acetate Structure

Cedryl acetate

Chemical Properties

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.)
Flash point 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 activity [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
CAS DataBase Reference 77-54-3(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) CEDRYL ACETATE
EWG's Food Scores 1
FDA UNII 0WS0WJ9WNV
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 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, (3R,3aS,6R,7R,8aS)- (77-54-3)
UNSPSC Code 12352108

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315
Precautionary statements P280
Hazard Codes  Xi
Risk Statements  38
WGK Germany  2
RTECS  FJ1680000
9
TSCA  TSCA listed
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Irrit. 2
Toxicity LD50 oral in rat: 44750mg/kg

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