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99427-18-6

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Basic Information
CAS No.: 99427-18-6
Name: (R)-3-METHYL-1-HEPTANOL
Article Data: 35
Molecular Structure:
Molecular Structure of 99427-18-6 ((R)-3-METHYL-1-HEPTANOL)
Formula: C8H18O
Molecular Weight: 130.23
Synonyms: 1-Heptanol,3-methyl-, (R)-;(R)-3-Methyl-1-heptanol;Rhinoceros beetle aggregationpheromone;
Density: 0.821 g/cm3
Boiling Point: 179.2 °C at 760 mmHg
Flash Point: 71.1 °C
PSA: 20.23000
LogP: 2.19510
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Specification

The 1-Heptanol, 3-methyl-,(3R)- is an organic compound with the formula C8H18O. The systematic name of this chemical is 3-methylheptan-1-ol. With the CAS registry number 99427-18-6, it is also named as 3-Methyl-1-heptanol.

Physical properties about 1-Heptanol, 3-methyl-,(3R)- are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.82; (4)ACD/BCF (pH 5.5): 81.41; (5)ACD/BCF (pH 7.4): 81.41; (6)ACD/KOC (pH 5.5): 811.45; (7)ACD/KOC (pH 7.4): 811.45; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.426; (13)Molar Refractivity: 40.6 cm3; (14)Molar Volume: 158.4 cm3; (15)Polarizability: 16.09×10-24cm3; (16)Surface Tension: 28 dyne/cm; (17)Density: 0.821 g/cm3; (18)Flash Point: 71.1 °C; (19)Enthalpy of Vaporization: 48.37 kJ/mol; (20)Boiling Point: 179.2 °C at 760 mmHg; (21)Vapour Pressure: 0.284 mmHg at 25°C.

Preparation of 1-Heptanol, 3-methyl-,(3R)-: this chemical can be prepared by 3-methyl-hept-6-en-1-ol. This reaction will need reagent H2 and catalyst Pd/C. The yield is about 94%.

1-Heptanol, 3-methyl-,(3R)- can be prepared by 3-methyl-hept-6-en-1-ol

Uses of 1-Heptanol, 3-methyl-,(3R)-: it can be used to produce (R)-3-Methylheptanal. It will need reagent Dess-Martin reagent. The yield is about 90%.

1-Heptanol, 3-methyl-,(3R)- can be used to produce (R)-3-Methylheptanal

You can still convert the following datas into molecular structure:
(1)SMILES: OCCC(C)CCCC
(2)InChI: InChI=1/C8H18O/c1-3-4-5-8(2)6-7-9/h8-9H,3-7H2,1-2H3
(3)InChIKey: MUPPEBVXFKNMCI-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H18O/c1-3-4-5-8(2)6-7-9/h8-9H,3-7H2,1-2H3
(5)Std. InChIKey: MUPPEBVXFKNMCI-UHFFFAOYSA-N