(1S,2S,3R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol | CAS No. 18680-27-8

(1S,2S,3R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol

Basic Information

CAS Number

18680-27-8

Molecular Formula

C10H18O2

Molecular Weight

170.25 g/mol

AD

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

55.0 to 59.0 deg-C

Boiling Point

239.9°C (rough estimate)

Refractive Index

1.4494 (estimate)

Specific Rotation

8.5 º (c=6.5, toluene)

CC1(C2CC1C(C(C2)O)(C)O)C

InChI

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

LogP

1.1643

Topological Polar Surface Area

40.46 Ų

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

212

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • PINANEDIOL
  • (1S,2S,3R,5S)-(+)-Pinanediol, 99%
  • 18680-27-8
  • (1S,2S,3R,5S)-(+)-2,3-pinanediol
  • PD132360
  • Bicyclo(3.1.1)heptane-2,3-diol, 2,6,6-trimethyl-, (1S-(1alpha,2alpha,3alpha,5alpha))-
  • Pinanediol, (+)-
  • (+)Pinanediol
  • Bicyclo[3.1.1]heptane-2,3-diol, 2,6,6-trimethyl-, (1S,2S,3R,5S)-
  • (1S,2S,3R,5S)-2,3-Pinanediol
  • AM20120595
  • Q27294324
  • 2,3-cis/exo-pinanediol
  • 2.ALPHA.,3.ALPHA.-PINANEDIOL
  • Y6ZCV4AVRA
  • (+)-2-Hydroxyisopinocampheol
  • (1S,2S,3R,5S)-(+)-2,6,6-trimethylbicyclo(3.1.1)heptane-2,3-diol
  • DTXSID00171941
  • 2,3-cs/ex-PinD
  • (1S,2S,3R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol
  • UNII-Y6ZCV4AVRA
  • SCHEMBL621468
  • BICYCLO(3.1.1)HEPTANE-2,3-DIOL, 2,6,6-TRIMETHYL-, (1S-(1.ALPHA.,2.ALPHA.,3.ALPHA.,5.ALPHA.))-
  • NS00026108
  • A15332
  • MOILFCKRQFQVFS-OORONAJNSA-N
  • 2alpha,3alpha-Pinanediol
  • (1S,2S,3R,55)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
  • Z1255402889
  • (1 S,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
  • CHEMBL4303429

MDL Number

MFCD00077851

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