CAS No.40575-42-6,1-Octen-4-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40575-42-6
Name:	1-Octen-4-ol
Article Data:	33

Formula:	C₈H₁₆O
Molecular Weight:	128.214
Synonyms:	4-Hydroxy-1-octene;NSC 244902;Oct-1-ene-4-ol;
Density:	0.834 g/cm³
Melting Point:	-31.5°C (estimate)
Boiling Point:	179.1 °C at 760 mmHg
Flash Point:	67.2 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	20.23000
LogP:	2.11360

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Specification

The 1-Octen-4-ol is an organic compound with the formula C₈H₁₆O. The IUPAC name of this chemical is oct-1-en-4-ol. With the CAS registry number 40575-42-6, it is also named as Allyl n-butyl carbinol. Besides, it should be stored in a closed cool and dry place.

Physical properties about 1-Octen-4-ol are: (1)ACD/LogP: 2.50; (2)ACD/LogD (pH 5.5): 2.5; (3)ACD/LogD (pH 7.4): 2.5; (4)ACD/BCF (pH 5.5): 46.7; (5)ACD/BCF (pH 7.4): 46.7; (6)ACD/KOC (pH 5.5): 545.17; (7)ACD/KOC (pH 7.4): 545.17; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.438; (13)Molar Refractivity: 40.33 cm³; (14)Molar Volume: 153.5 cm³; (15)Polarizability: 15.98×10^-24cm³; (16)Surface Tension: 28 dyne/cm; (17)Density: 0.834 g/cm³; (18)Flash Point: 67.2 °C; (19)Enthalpy of Vaporization: 48.35 kJ/mol; (20)Boiling Point: 179.1 °C at 760 mmHg; (21)Vapour Pressure: 0.286 mmHg at 25°C.

Preparation of 1-Octen-4-ol: this chemical can be prepared by allyl-trimethyl-silane and pentanal. This reaction will need reagent iodine and solvent acetonitrile. The reaction time is 60 s with reaction temperature of 0 °C. The yield is about 82%.

1-Octen-4-ol can be prepared by allyl-trimethyl-silane and pentanal

Uses of 1-Octen-4-ol: it can be used to produce 4-bromo-oct-1-ene by heating. It will need reagents pyridine, PBr₃ and solvent diethyl ether with reaction time of 3 hours. The yield is about 56%.

1-Octen-4-ol can be used to produce 4-bromo-oct-1-ene

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(C\C=C)CCCC
(2)InChI: InChI=1/C8H16O/c1-3-5-7-8(9)6-4-2/h4,8-9H,2-3,5-7H2,1H3
(3)InChIKey: UZGCMRVEDHLBGY-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h4,8-9H,2-3,5-7H2,1H3
(5)Std. InChIKey: UZGCMRVEDHLBGY-UHFFFAOYSA-N