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Cas Database

Name

(1S,2S,5S)-(-)-2-Hydroxy-3-pinanone

EINECS

N/A

CAS No.

1845-25-6

Density

1.081g/cm³

PSA

37.30000

LogP

1.37250

Solubility

N/A

Melting Point

36-38 °C(lit.)

Formula

C10H16 O2

Boiling Point

245 °C(lit.)

Molecular Weight

168.236

Flash Point

104.5°C

Transport Information

N/A

Appearance

N/A

Safety

Safety Statements	22-24/25
WGK Germany	3

Risk Codes

N/A

Molecular Structure

Hazard Symbols

N/A

Synonyms

3-Pinanone,2-hydroxy-, (1S,2S,5S)-(-)- (8CI); Bicyclo[3.1.1]heptan-3-one,2-hydroxy-2,6,6-trimethyl-, [1S-(1a,2a,5a)]-; (-)-2-Hydroxy-3-pinanone; (-)-2a-Hydroxypinocamphone;(1S,2S,5S)-2-Hydroxypinan-3-one

Article Data

(1S,2S,5S)-(-)-2-Hydroxy-3-pinanone Chemical Properties

Molecular Structure of (1S,2S,5S)-(-)-2-Hydroxy-3-pinanone (CAS No.1845-25-6):

Molecular Formula: C₁₀H₁₆O₂
Molecular Weight: 168.2328
CAS No: 1845-25-6
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 37.3 Å²
Index of Refraction: 1.503
Molar Refractivity: 45.99 cm³
Molar Volume: 155.534 cm³
Surface Tension: 36.443 dyne/cm
Density: 1.082 g/cm³
Flash Point: 104.457 °C
Enthalpy of Vaporization: 56.016 kJ/mol
Boiling Point: 244.999 °C at 760 mmHg
Vapour Pressure: 0.005 mmHg at 25°C
Systematic Name: (1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
InChI: InChI=1/C₁₀H₁₆O₂/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6-,7-,10-/m0/s1
InChIKey: VZRRCQOUNSHSGB-BYULHYEWBC
Std. InChI: InChI=1S/C₁₀H₁₆O₂/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6-,7-,10-/m0/s1
Std. InChIKey: VZRRCQOUNSHSGB-BYULHYEWSA-N
Product Categories: Chiral Reagents;Asymmetric Synthesis;Bicyclic Monoterpenes;Biochemistry;Synthetic Organic Chemistry;Terpenes

(1S,2S,5S)-(-)-2-Hydroxy-3-pinanone Safety Profile

Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

(1S,2S,5S)-(-)-2-Hydroxy-3-pinanone Specification

(1S,2S,5S)-(-)-2-Hydroxy-3-pinanone (CAS No.1845-25-6), its synonyms are (1S,2S,5S)-2-Hydroxy-2,6,6-trimethyl-bicyclo[3.1.1]heptan-3-one ; Bicyclo[3.1.1]heptan-3-one, 2-hydroxy-2,6,6-trimethyl-, (1S,2S,5S)- .

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