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| CAS No.: | 2883-45-6 |
|---|---|
| Name: | 1,6-HEPTADIEN-4-OL |
| Article Data: | 30 |
| Molecular Structure: | |
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| Formula: | C7H12O |
| Molecular Weight: | 112.172 |
| Synonyms: | 4-Hydroxy-1,6-heptadiene;NSC 97509;1,6-Heptadien-4-ol; |
| EINECS: | 220-742-0 |
| Density: | 0.849 g/cm3 |
| Boiling Point: | 150.999 °C at 760 mmHg |
| Flash Point: | 40 °C |
| Appearance: | Clear colorless to light yellow liquid |
| Hazard Symbols: | R10:Flammable.; |
| Risk Codes: | 10 |
| Safety: | 16 |
| Transport Information: | UN 1987 3/PG 3 |
| PSA: | 20.23000 |
| LogP: | 1.49950 |
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Specification
The Hepta-1,6-dien-4-ol is an organic compound with the formula C7H12O. The IUPAC name of this chemical is hepta-1,6-dien-4-ol. With the CAS registry number 2883-45-6, it is also named as 1,6-Heptadien-4-ol. The product's categories are Acyclic; Alkenes; Organic Building Blocks. Besides, it is clear colorless to light yellow liquid, which should be stored in a closed cool and dry place.
Physical properties about Hepta-1,6-dien-4-ol are: (1)ACD/LogP: 1.79; (2)ACD/LogD (pH 5.5): 1.78; (3)ACD/LogD (pH 7.4): 1.78; (4)ACD/BCF (pH 5.5): 13.38; (5)ACD/BCF (pH 7.4): 13.38; (6)ACD/KOC (pH 5.5): 222.84; (7)ACD/KOC (pH 7.4): 222.84; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.448; (13)Molar Refractivity: 35.42 cm3; (14)Molar Volume: 132.1 cm3; (15)Polarizability: 14.04×10-24cm3; (16)Surface Tension: 27.5 dyne/cm; (17)Density: 0.848 g/cm3; (18)Flash Point: 40 °C; (19)Enthalpy of Vaporization: 45.18 kJ/mol; (20)Boiling Point: 151 °C at 760 mmHg; (21)Vapour Pressure: 1.41 mmHg at 25°C.
Uses of Hepta-1,6-dien-4-ol: it can be used to produce hepta-1,6-dien-4-one at temperature of 20 °C. It will need reagent CrO3, H2SO4 with reaction time of 2 hours. The yield is about 60%.
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When you are using this chemical, please be cautious about it as the following:
It is flammable. When you are using it, please keep away from sources of ignition - No smoking.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(C\C=C)C\C=C
(2)InChI: InChI=1/C7H12O/c1-3-5-7(8)6-4-2/h3-4,7-8H,1-2,5-6H2
(3)InChIKey: UTGFOWQYZKTZTN-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3-4,7-8H,1-2,5-6H2
(5)Std. InChIKey: UTGFOWQYZKTZTN-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04087, |