CAS No.624-51-1,3-Nonanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	624-51-1
Name:	3-Nonanol

Formula:	C₉H₂₀O
Molecular Weight:	144.25
Synonyms:	Nonanol-3;dl-Nonan-3-ol;
EINECS:	210-850-6
Density:	0.824 g/cm³
Melting Point:	22°C
Boiling Point:	196.6 °C at 760 mmHg
Flash Point:	79.5 °C
Solubility:	288.4mg/L(temperature not stated)
Hazard Symbols:	N
Risk Codes:	51/53
Safety:	61
Transport Information:	UN 3082
PSA:	20.23000
LogP:	2.72770

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Specification

The 3-Nonanol, with the CAS registry number of 624-51-1, is also known as 3-Nonyl alcohol and n-Hexylethylcarbinol. Its EINECS registry number is 210-850-6. This chemical's molecular formula is C₉H₂₀O and molecular weight is 144.25. What's more, its IUPAC name is Nonan-3-ol. In addition, it should be stored in dry, cool, airtight place. Avoid contact with oxidant, otherwise it would decompose.

Physical properties about 3-Nonanol are: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 206.29; (6)ACD/BCF (pH 7.4): 206.29; (7)ACD/KOC (pH 5.5): 1578.75; (8)ACD/KOC (pH 7.4): 1578.75; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 45.23 cm³; (15)Molar Volume: 174.9 cm³; (16)Polarizability: 17.93×10^-24 cm³; (17)Surface Tension: 28.5 dyne/cm; (18)Density: 0.824 g/cm³; (19)Flash Point: 79.5 °C; (20)Enthalpy of Vaporization: 50.36 kJ/mol; (21)Boiling Point: 196.6 °C at 760 mmHg; (22)Vapour Pressure: 0.102 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Heptanal with Diethylzinc at ambient temperature. The reaction needs catalyst 1, 2-Isopropylidene-5-deoxy-5-morpholino-α-D-xylofuranose and solvent Toluene. The reaction time is 12 hours. The yield is about 95 %.

Uses: (1)it can be used as solvent. (2)it is used as organic intermediate to produce other chemicals. For example, it is used to produce 3-Iodo-nonane. This reaction needs reagents CeCl₃•7H₂O and NaI. Meanwhile, it needs solvent Acetonitrile. Other condition of this reaction is reaction time of 96 hours at heating. The yield is about 85 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is dangerous for the environment. And it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Hence, avoid release it to the environment.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(CC)CCCCCC
(2) InChI: InChI=1/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3
(3) InChIKey: GYSCXPVAKHVAAY-UHFFFAOYAI