23089-26-1

Name (-)-ALPHA-BISABOLOL
CAS 23089-26-1
EINECS(EC#) 245-423-3
Molecular Formula C15H26O
MDL Number MFCD03412455
Molecular Weight 222.37
MOL File 23089-26-1.mol

Chemical Properties

alpha  D -55.7°; D20 -51.02° (Günther)
Boiling point  bp12 153°
density  d20 0.9211
vapor pressure  0.015Pa at 20℃
FEMA  4666 | ALPHA-BISABOLOL
refractive index  n20/D 1.496
Fp  135 °C
storage temp.  -20°C
solubility  DMSO:100.0(Max Conc. mg/mL);449.7(Max Conc. mM)
form  neat
pka 15.04±0.29(Predicted)
color  Colorless to light yellow
Odor at 100.00 %. fruity nutty coconut
Odor Type floral
Optical Rotation [α]/D -60±2°, neat
Water Solubility  22mg/L at 20℃
JECFA Number 2031
Cosmetics Ingredients Functions SKIN CONDITIONING
SOOTHING
FRAGRANCE
InChI 1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1
InChIKey RGZSQWQPBWRIAQ-CABCVRRESA-N
SMILES O[C@]([C@H]1CCC(=CC1)C)(CCC=C(C)C)C
LogP 5.5 at 25℃
CAS DataBase Reference 23089-26-1(CAS DataBase Reference)
EPA Substance Registry System Levomenol (23089-26-1)

Safety Data

Symbol(GHS)  Environment (GHS09)
GHS09
Hazard statements  H412
Precautionary statements  P273-P501
RIDADR  UN 3082 9 / PGIII
WGK Germany  3
RTECS  MJ9685000
REACH Registrations Active
HS Code  2906195000
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 3
Toxicity
LD50 in male, female mice, rats (ml/kg): 15.2, 15.0, 14.9, 15.6 orally (Habersang)

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