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| CAS No.: | 53219-21-9 |
|---|---|
| Name: | Dihydromyrcenol |
| Molecular Structure: | |
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| Formula: | C10H20O |
| Molecular Weight: | 156.2652 |
| Synonyms: | Myrcenol,dihydro- (6CI);Dihydromyrcenol; |
| EINECS: | 258-432-2 |
| Density: | 0.839 g/cm3 |
| Melting Point: | 163-169oC |
| Boiling Point: | 217.6 °C at 760 mmHg |
| Flash Point: | 78.7 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: | Xi |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 20.23000 |
| LogP: | 2.89380 |
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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