CAS No.2883-45-6,1,6-HEPTADIEN-4-OL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2883-45-6
Name:	1,6-HEPTADIEN-4-OL
Article Data:	30

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%.

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,