18680-27-8

Name (1S,2S,3R,5S)-(+)-2,3-Pinanediol
CAS 18680-27-8
EINECS(EC#) 606-096-6
Molecular Formula C10H18O2
MDL Number MFCD00077851
Molecular Weight 170.25
MOL File 18680-27-8.mol
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Chemical Properties

Appearance white to light beige crystalline powder, crystals
Melting point  57-59 °C(lit.)
alpha  8.5 º (c=6.5, toluene)
Boiling point  239.9°C (rough estimate)
density  0.9409 (rough estimate)
refractive index  1.4494 (estimate)
Fp  >230 °F
storage temp.  2-8°C
solubility  Chloroform, Methanol (Slightly), Toluene (Slightly)
form  Crystalline Powder, Crystals or Mass
pka 14.68±0.60(Predicted)
color  White to light beige
Optical Rotation [α]20/D +8.5°, c = 6.5 in toluene
BRN  1853591
InChI 1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m0/s1
InChIKey MOILFCKRQFQVFS-OORONAJNSA-N
SMILES CC1(C)C2C[C@@H](O)[C@@](C)(O)C1C2
LogP 1.582 (est)
CAS DataBase Reference 18680-27-8(CAS DataBase Reference)
NIST Chemistry Reference (1S,2s,3r,5s)-(+)-pinanediol(18680-27-8)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P271-P280
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
F  10
REACH Registrations Active
HS Code  29051990
Storage Class 11 - Combustible Solids

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