TOTAROL Structure

TOTAROL

Chemical Properties

Melting point 128-132 °C(lit.)
Boiling point 369.4±31.0 °C(Predicted)
Density  0.988±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka 10.90±0.60(Predicted)
form  Solid
color  Off-White to Light Brown
optical activity +41.320 (c4, ethanol)
Cosmetics Ingredients Functions DEODORANT
ORAL CARE
ANTIOXIDANT
InChI InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1
InChIKey ZRVDANDJSTYELM-FXAWDEMLSA-N
SMILES C1(C(C)C)=C2C([C@]3(C)[C@@]([H])(CC2)C(C)(C)CCC3)=CC=C1O
LogP 6.405 (est)
EWG's Food Scores 1
FDA UNII 67NH2854WW
EPA Substance Registry System 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)- (511-15-9)

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H335-H319
Precautionary statements P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
NFPA 704:
0
2 0

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TOTAROL Chemical Properties,Usage,Production

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TOTAROL Spectrum