CAS No.705-86-2,5-Decanolide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	705-86-2
Name:	5-Decanolide
Article Data:	43
Cas Database

Formula:	C₁₀H₁₈O₂
Molecular Weight:	170.252
Synonyms:	Capricacid, d-hydroxy-, lactone (4CI);Decanoic acid, 5-hydroxy-, d-lactone (6CI);(RS)-d-Decalactone;5-Hydroxydecanoic acid d-lactone;5-Pentyl-5-pentanolide;6-Pentyltetrahydro-2H-pyran-2-one;Dihydrojasmin lactone;d-Amyl-d-valerolactone;d-Amylvalerolactone;d-Decalactone;d-Pentyl-d-valerolactone;
EINECS:	211-889-1
Density:	0.94 g/cm³
Melting Point:	-27 °C(lit.)
Boiling Point:	267.228 °C at 760 mmHg
Flash Point:	106.059 °C
Solubility:	Soluble in water (4 mg/ml at 28°C), alcohols, and propylene glycol.
Appearance:	clear colorless to light yellow oily liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25-37/39-26
PSA:	26.30000
LogP:	2.66240

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 5-Decanolide, with the CAS registry number 705-86-2, is also known as 6-Pentyltetrahydro-2H-pyran-2-one. It belongs to the product categories of C-D; Alphabetical Listings; C-D Flavors and Fragrances; Certified Natural Products; Flavors and Fragrances. Its EINECS registry number is 211-889-1. This chemical's molecular formula is C₁₀H₁₈O₂ and molecular weight is 170.25. What's more, its IUPAC name is called 6-Pentyloxan-2-one. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 5-Decanolide are: (1)ACD/LogP: 2.469; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.30; (6)ACD/BCF (pH 7.4): 44.30; (7)ACD/KOC (pH 5.5): 524.92; (8)ACD/KOC (pH 7.4): 524.92; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 48.02 cm³; (15)Molar Volume: 181.087 cm³; (16)Polarizability: 19.037×10^-24cm³; (17)Surface Tension: 30.183 dyne/cm; (18)Density: 0.94 g/cm³; (19)Flash Point: 106.059 °C; (20)Enthalpy of Vaporization: 50.524 kJ/mol; (21)Boiling Point: 267.228 °C at 760 mmHg; (22)Vapour Pressure: 0.0080 mmHg at 25 °C.

Preparation of 5-Decanolide: this chemical can be prepared by decane-1,5-diol. This reaction needs reagents RuO₂*2H₂O, NaCl and solvents CCl₄, H₂O. The yield is 79 %.

5-Decanolide can be prepared by decane-1,5-diol.

Uses of 5-Decanolide: (1) it can be used for soft drinks, ice cream, candy, milk, milk products, biscuits, spices and baked goods; (2) it is used to produce other chemicals. For example, it can react with naphthalene-1,8-diamine to get 1-(Perimidin-2-yl)nonan-4-ol. The reaction needs temperature of 200-230 °C and reaction time is 2 hours. The yield is 76 %.

5-Decanolide can react with naphthalene-1,8-diamine to get 1-(Perimidin-2-yl)nonan-4-ol.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable gloves, eye/face protection and avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OC(CCCCC)CCC1
(2) InChI: InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3
(3) InChIKey: GHBSPIPJMLAMEP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	oral	> 4300mg/kg (4300mg/kg)		National Technical Information Service. Vol. AD-A053-896,