CAS No.18486-69-6,(-)-Myrtenal Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	18486-69-6
Name:	(-)-Myrtenal
Article Data:	47

Formula:	C₁₀H₁₄O
Molecular Weight:	150.221
Synonyms:	6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde;
EINECS:	209-274-8
Density:	1.061 g/cm³
Boiling Point:	215.7 °C at 760 mmHg
Flash Point:	78.9 °C
Safety:	23-24/25
PSA:	17.07000
LogP:	2.17770

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Specification

The (-)-Myrtenal, with the CAS registry number 18486-69-6, is also known as (+)-Myrtenal. Its EINECS number is 209-274-8. This chemical's molecular formula is C₁₀H₁₄O and molecular weight is 150.22. What's more, its systematic name is 6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde.

Physical properties of (-)-Myrtenal are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.64; (6)ACD/BCF (pH 7.4): 48.64; (7)ACD/KOC (pH 5.5): 561.25; (8)ACD/KOC (pH 7.4): 561.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 45.86 cm³; (15)Molar Volume: 141.4 cm³; (16)Polarizability: 18.18×10^-24 cm³; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.061 g/cm³; (19)Flash Point: 78.9 °C; (20)Enthalpy of Vaporization: 45.21 kJ/mol; (21)Boiling Point: 215.7 °C at 760 mmHg; (22)Vapour Pressure: 0.145 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
When using it, you should not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) and avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/C1=C/CC2CC1C2(C)C
(2)InChI: InChI=1/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3
(3)InChIKey: KMRMUZKLFIEVAO-UHFFFAOYAU