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(-)-alpha-Cedrene Structure

(-)-alpha-Cedrene

  • Product Name(-)-alpha-Cedrene
  • CAS469-61-4
  • CBNumberCB4729323
  • MFC15H24
  • MW204.35
  • EINECS207-418-4
  • MDL NumberMFCD00063003
  • MOL File469-61-4.mol

Chemical Properties

alpha  -88 º(c=10%, EtOH)
Boiling point: 261-262 °C(lit.)
Density  0.932 g/mL at 20 °C(lit.)
refractive index  n20/D 1.498
Flash point: 104°C
storage temp.  2-8°C
solubility  Chloroform (Soluble), DMSO (Slightly, Heated), Ethanol (Very Slightly), Methanol
form  Oil
color  Colourless to Light Yellow
Odor at 100.00 %. woody cedar sweet fresh
Odor Type woody
optical activity [α]20/D 88±1°, c = 10% in ethanol
BRN  3196861
Henry's Law Constant 2.8×10-4 mol/(m3Pa) at 25℃, Copolovici and Niinemets (2015)
Dielectric constant 3.2(24℃)
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1
InChIKey IRAQOCYXUMOFCW-OSFYFWSMSA-N
SMILES C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC=C3C
LogP 6.308 (est)
CAS DataBase Reference 469-61-4(CAS DataBase Reference)
NIST Chemistry Reference 1H-3a,7-methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3r-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-(469-61-4)
EPA Substance Registry System 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)- (469-61-4)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H315-H319-H400
Precautionary statements  P273-P302+P352-P305+P351+P338
PPE Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  Xi,N
Risk Statements  36/38-50/53-50
Safety Statements  26-60-61-24/25-23
RIDADR  UN 3082 9/PG 3
WGK Germany  2
RTECS  PB7725000
TSCA  TSCA listed
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2

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