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6876-13-7

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Basic Information
CAS No.: 6876-13-7
Name: cis-Pinane
Article Data: 61
Molecular Structure:
Molecular Structure of 6876-13-7 (cis-Pinane)
Formula: C10H18
Molecular Weight: 138.253
Synonyms: Bicyclo[3.1.1]heptane,2,6,6-trimethyl-, (1a,2b,5a)-; Pinane, stereoisomer (8CI); (?à)-trans-Pinane; cis-Pinane
EINECS: 229-978-9
Density: 0.857 g/mL at 20 °C(lit.)
Melting Point: -53oC
Boiling Point: 157 °C at 760 mmHg
Flash Point: 36 °C
Appearance: Colorless liquid
Risk Codes: 10
Safety: 16
Transport Information: UN 2319 3/PG 3
PSA: 0.00000
LogP: 3.07860
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    COA,H-NMR,HPLC availableWe have offices in Boston,MA,USAWe ship it in real nameMerck and Sigma are our customersPayment:Credit card/Net 30 daysWeb:www.alliconpharma.comAppearance:Colorless transparent liquid Storage:Store in a cool, dry, well-ventila

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  • cis-Pinane

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    6876-13-7

    cis-Pinane

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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  • cis-Pinane

  • Casno:

    6876-13-7

    cis-Pinane

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    PINANE

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Chemistry

Molecular Structure of cis-Pinane (CAS No.6876-13-7):

Molecular Formula: C10H18 
Molecular Weight: 138.2499
CAS No: 6876-13-7
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 0 Å2
Index of Refraction: 1.454
Molar Refractivity: 44.36 cm3
Molar Volume: 163.6 cm3
Surface Tension: 26.5 dyne/cm
Density: 0.844 g/cm3
Flash Point: 36 °C
Enthalpy of Vaporization: 37.75 kJ/mol
Boiling Point: 157 °C at 760 mmHg
Vapour Pressure: 3.63 mmHg at 25°C
IUPAC Name: (1S,4S,5R)-4,6,6-Trimethylbicyclo[3.1.1]heptane 
InChI: InChI=1/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m0/s1
InChIKey: XOKSLPVRUOBDEW-CIUDSAMLBF
Std. InChI: InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m0/s1
Std. InChIKey: XOKSLPVRUOBDEW-CIUDSAMLSA-N

Safety Profile

Risk Statements: 10
R10:Flammable.
Safety Statements: 16
S16:Keep away from sources of ignition.
RIDADR: UN 2319 3/PG 3
WGK Germany: 3

Specification

   cis-Pinane (CAS No.6876-13-7), its synonyms are (1alpha,2beta,5alpha)-2,6,6-Trimethylbicyclo[3.1.1]heptane ; Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1.alpha.,2.beta.,5.alpha.)- .