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Dihydromyrcenol

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Name

Dihydromyrcenol

EINECS 258-432-2
CAS No. 53219-21-9 Density 0.839 g/cm3
PSA 20.23000 LogP 2.89380
Solubility N/A Melting Point 163-169oC
Formula C10H20O Boiling Point 217.6 °C at 760 mmHg
Molecular Weight 156.2652 Flash Point 78.7 °C
Transport Information N/A Appearance clear colorless liquid
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 53219-21-9 (Dihydromyrcenol) Hazard Symbols Xi
Synonyms

Myrcenol,dihydro- (6CI);Dihydromyrcenol;

 

Dihydromyrcenol Specification

The Dihydromyrcenol is an organic compound with the formula C10H20O. The IUPAC name of this chemical is 2,6-dimethyloct-7-en-2-ol. With the CAS registry number 53219-21-9, it is also named as 2-Methyl-6-methyleneoct-7-en-2-ol dihydro derivative. The product's category is Aroma Chemicals. It is clear colorless liquid with fresh and spicy citrus, lavender, fruity and floral aroma. In addition, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 182.23; (6)ACD/BCF (pH 7.4): 182.23; (7)ACD/KOC (pH 5.5): 1444.63; (8)ACD/KOC (pH 7.4): 1444.63; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.444; (13)Molar Refractivity: 49.44 cm3; (14)Molar Volume: 186 cm3; (15)Polarizability: 19.6×10-24 cm3; (16)Surface Tension: 27.7 dyne/cm; (17)Enthalpy of Vaporization: 52.79 kJ/mol; (18)Vapour Pressure: 0.0282 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 156.151415; (21)MonoIsotopic Mass: 156.151415; (22)Topological Polar Surface Area: 20.2; (23)Heavy Atom Count: 11; (24)Complexity: 116.

Uses of Dihydromyrcenol: It is used as essence in lime, cologne-based and citrus flavor. It is also used in the preparation of cosmetic and soap flavor.

People can use the following data to convert to the molecule structure.
1. SMILES:OC(C)(C)CCC\C(=C)CC
2. InChI:InChI=1/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h11H,2,5-8H2,1,3-4H3
3. InChIKey:VOATZOQREKBJMT-UHFFFAOYAG
4. Std. InChI:InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h11H,2,5-8H2,1,3-4H3
5. Std. InChIKey:VOATZOQREKBJMT-UHFFFAOYSA-N

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