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18457-55-1

Name (-)-PERILLYL ALCOHOL
CAS 18457-55-1
EINECS(EC#) 208-639-9
Molecular Formula C10H16O
MDL Number MFCD00062995
Molecular Weight 152.23
MOL File 18457-55-1.mol
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Chemical Properties

alpha  -101o (NEAT)
Boiling point  119-121 °C11 mm Hg(lit.)
density  0.96 g/mL at 25 °C(lit.)
refractive index  n20/D 1.501
Fp  >230 °F
storage temp.  2-8°C
solubility  Chloroform (Sparingly), Methanol (Sparingly)
form  neat
pka 14.85±0.10(Predicted)
color  Colourless
Specific Gravity 0.960
biological source synthetic
Optical Rotation [α]22/D 88°, c = 1 in methanol
BRN  2501605
InChI 1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1
InChIKey NDTYTMIUWGWIMO-SNVBAGLBSA-N
SMILES CC(=C)[C@H]1CCC(CO)=CC1
LogP 3.077 (est)
CAS DataBase Reference 18457-55-1(CAS DataBase Reference)
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Safety Data

Hazard Codes  Xi
Risk Statements 
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  OS8395000
F  10
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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