Name: 3-Heptyn-1-ol
SKU: 14916-79-1

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Basic Information

Molecular Structure:
CAS No.:	14916-79-1
Name:	3-Heptyn-1-ol
Article Data:	15

Formula:	C₇H₁₂O
Molecular Weight:	112.172
Synonyms:	1-Hydroxy-3-heptyne;
EINECS:	238-985-6
Density:	0.898 g/cm³
Melting Point:	-20.62°C (estimate)
Boiling Point:	196.5 °C at 760 mmHg
Flash Point:	82.9 °C
Appearance:	Colourless liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	36/37
PSA:	20.23000
LogP:	1.17230

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Specification

The 3-Heptyn-1-ol is an organic compound with the formula C₇H₁₂O. The IUPAC name of this chemical is Hept-3-yn-1-ol. The CAS registry number of this chemical is 14916-79-1. The product's categories are Acetylenes; Acetylenic Alcohols and Their Derivatives; Alkynes; Internal; Organic Building Blocks. Besides, it is colourless liquid.

Physical properties about 3-Heptyn-1-ol are: (1)ACD/LogP: 1.52; (2)ACD/LogD (pH 5.5): 1.52; (3)ACD/LogD (pH 7.4): 1.52; (4)ACD/BCF (pH 5.5): 8.39; (5)ACD/BCF (pH 7.4): 8.39; (6)ACD/KOC (pH 5.5): 159.53; (7)ACD/KOC (pH 7.4): 159.53; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.457; (13)Molar Refractivity: 34.01 cm³; (14)Molar Volume: 124.8 cm³; (15)Polarizability: 13.48×10^-24 cm³; (16)Surface Tension: 35.8 dyne/cm; (17)Density: 0.898 g/cm³; (18)Flash Point: 82.9 °C; (19)Enthalpy of Vaporization: 50.35 kJ/mol; (20)Boiling Point: 196.5 °C at 760 mmHg; (21)Vapour Pressure: 0.102 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-Bromo-propane. This reaction will need reagent HMPA and solvent tetrahydrofuran. The reaction time is 6 hours with reaction temperature of -78 - 20 °C. The yield is about 91%.

Uses of 3-Heptyn-1-ol: it can be used to produce Hept-3-ynoic acid at temperature of 0 - 16 °C. It will need reagents Na₂Cr₂O₇•2H₂O; NaIO₄; HNO₃ and solvent acetonitrile with reaction time of 20 hours. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h8H,2-3,6-7H2,1H3
(2)InChIKey: PSWHODJVUOXHKA-UHFFFAOYAU
(3)Std. InChI: InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h8H,2-3,6-7H2,1H3
(4)Std. InChIKey: PSWHODJVUOXHKA-UHFFFAOYSA-N