515-03-7

Name Sclareol
CAS 515-03-7
EINECS(EC#) 208-194-0
Molecular Formula C20H36O2
MDL Number MFCD00869558
Molecular Weight 308.5
MOL File 515-03-7.mol

Chemical Properties

Melting point  95-100 °C (lit.)
alpha  -13 º (c=4, in carbon tetrachloride)
Boiling point  218-220 °C/19 mmHg (lit.)
density  0.954±0.06 g/cm3(Predicted)
FEMA  4502 | (-)-SCLAREOL
storage temp.  2-8°C
solubility  Chlorform, Ethyl Acetate (Slightly)
form  neat
pka 14.49±0.29(Predicted)
color  White to Off-White
Odor at 100.00 %. sweet balsam clary amber woody weedy
biological source Salvia sclarea L
Odor Type balsamic
Optical Rotation [α]25/D 13°, c = 4 in carbon tetrachloride
JECFA Number 2029
BRN  2054148
Major Application cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
InChIKey XVULBTBTFGYVRC-HHUCQEJWSA-N
SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)C=C
LogP 5.54
CAS DataBase Reference 515-03-7(CAS DataBase Reference)
NIST Chemistry Reference 1-Naphthalenepropanol, «alpha»-ethenyldecahydro-2-hydroxy-«alpha»,2,5,5,8a-pentamethyl-, [1r-[1«alpha»(r*),2«beta»,4a«beta»,8a«alpha»]]-(515-03-7)
EPA Substance Registry System 515-03-7(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P264-P280-P337+P313-P305+P351+P338
WGK Germany  2
RTECS  QK0301900
TSCA  TSCA listed
REACH Registrations Active
HS Code  29061990
Storage Class 11 - Combustible Solids

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