CAS No.10339-55-6,ETHYL LINALOOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10339-55-6
Name:	ETHYL LINALOOL

Formula:	C₁₁H₂₀O
Molecular Weight:	168.279
Synonyms:	3,7-Dimethyl-1,6-nonadien-3-ol;Ethyl linalool;Methyllinalool;
EINECS:	233-732-6
Density:	0.857 g/cm³
Boiling Point:	244.1 °C at 760 mmHg
Flash Point:	90.9 °C
Solubility:	656mg/L at 20℃
Appearance:	colorless to light yellow liquid
PSA:	9.23000
LogP:	3.71400

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The (6E)-3,7-Dimethylnona-1,6-dien-3-ol, with its CAS registry number 10339-55-6, is a kind of colorless to light yellow liquid. And it is usually applied in preparing the essence, such as food essence and flavouring essence for tobacco.

The characteristics of (6E)-3,7-Dimethylnona-1,6-dien-3-ol are as follows: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 464.85; (6)ACD/BCF (pH 7.4): 464.85; (7)ACD/KOC (pH 5.5): 2823.99; (8)ACD/KOC (pH 7.4): 2823.99; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 54.13 cm³; (15)Molar Volume: 196.1 cm³; (16)Polarizability: 21.46×10^-24 cm³; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 0.857 g/cm³; (19)Flash Point: 90.9 °C; (20)Enthalpy of Vaporization: 55.91 kJ/mol; (21)Boiling Point: 244.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0052 mmHg at 25°C; (23)Exact Mass: 168.151415; (24)MonoIsotopic Mass: 168.151415; (25)Topological Polar Surface Area: 20.2; (26)Heavy Atom Count: 12; (27)Complexity: 170.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CCC(=CCCC(C)(C=C)O)C
(2)Isomeric SMILES: CC/C(=C/CCC(C)(C=C)O)/C
(3)InChI: InChI=1S/C11H20O/c1-5-10(3)8-7-9-11(4,12)6-2/h6,8,12H,2,5,7,9H2,1,3-4H3/b10-8+
(4)InChIKey: KRLBLPBPZSSIGH-CSKARUKUSA-N