CAS No.470-82-6,Cineole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	470-82-6
Name:	Cineole
Article Data:	39

Formula:	C₁₀H₁₈O
Molecular Weight:	154.252
Synonyms:	p-Menthane,1,8-epoxy- (8CI);1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane;1,8-Cineol;1,8-Cineole;1,8-Epoxy-p-menthane;2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane;Cajeputol;Cineol;2-Oxabicyclo[2.2.2]octane,1,3,3-trimethyl-;Eucalyptole;Eucapur;NSC 6171;Terpan;p-Cineole;
EINECS:	207-431-5
Density:	0.923 g/cm³
Melting Point:	1-2 °C(lit.)
Boiling Point:	174.012 °C at 760 mmHg
Flash Point:	50.868 °C
Solubility:	Insoluble in water, miscible with ethanol, chloroform, glacial acetic acid, and volatile oil or fixed oil
Appearance:	colorless liquid with a fresh camphor-like smell and a spicy, cooling taste
Hazard Symbols:	Xi,F
Risk Codes:	10-41-36/37/38
Safety:	26-39-16
Transport Information:	UN 1993 3/PG 3
PSA:	9.23000
LogP:	2.74410

Raw Materials

98-55-5

80-56-8

138-86-3

554-59-6

Downstream Products

108-88-3

24410-50-2

99-85-4

81781-24-0

101221-23-2

99-87-6

138-86-3

494-90-6

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 1,8-Cineol, with the CAS registry number 470-82-6, is also known as 1,8-Oxido-p-menthane. It belongs to the product categories of Miscellaneous Natural Products; Heterocycles; Heterocyclic Compounds; Bicyclic Monoterpenes; Biochemistry; Terpenes; Intermediates & Fine Chemicals; Isotope Labeled Compounds; Pharmaceuticals; Isotope Labelled Compounds. Its EINECS number is 207-431-5. This chemical's molecular formula is C₁₀H₁₈O and molecular weight is 154.25. What's more, its systematic name is 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane. Its classification codes are: (1)Anti-Infective Agents; (2)Mutation data; (3)Reproductive Effect; (4)Solvents. This chemical should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from oxides. Its storage temperature is 2 - 8°C. This chemical is a permanent component of lavender oil and spike lavender oil. It is used in flavorings, fragrances, and cosmetics. It is an ingredient in many brands of mouthwash and cough suppressant.

Physical properties of 1,8-Cineol are: (1)ACD/LogP: 2.795; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.80; (4)ACD/LogD (pH 7.4): 2.80; (5)ACD/BCF (pH 5.5): 78.43; (6)ACD/BCF (pH 7.4): 78.43; (7)ACD/KOC (pH 5.5): 790.07; (8)ACD/KOC (pH 7.4): 790.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 45.87 cm³; (15)Molar Volume: 167.159 cm³; (16)Polarizability: 18.184×10^-24cm³; (17)Surface Tension: 32.49 dyne/cm; (18)Density: 0.923 g/cm³; (19)Flash Point: 50.868 °C; (20)Enthalpy of Vaporization: 39.351 kJ/mol; (21)Boiling Point: 174.012 °C at 760 mmHg; (22)Vapour Pressure: 1.65 mmHg at 25°C.

Preparation: this chemical can be prepared by methylmagnesium iodide and C₉H₁₅O(1+)·F₆Sb(1-). This reaction will need solvent diethyl ether with the reaction time of 10 min. The yield is about 51%.

1,8-Cineol can be prepared by methylmagnesium iodide and C9H15O(1+)·F6Sb(1-)

Uses of 1,8-Cineol: it can be used to produce (+-)-2,6,6-trimethyl-tetrahydro-pyran-2r,5c-dicarboxylic acid by heating. It will need reagents KMnO₄, aq. NaOH with the reaction time of 7 hours. The yield is about 41.5%.

1,8-Cineol can be used to produce (+-)-2,6,6-trimethyl-tetrahydro-pyran-2r,5c-dicarboxylic acid by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is flammable, so you should keep it away from sources of ignition - No smoking. This substance has a risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O2C1(CCC(CC1)C2(C)C)C
(2)Std. InChI: InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
(3)Std. InChIKey: WEEGYLXZBRQIMU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LDLo	subcutaneous	1500mg/kg (1500mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Trudy Instituta Fiziologii, Akademiya Nauk Kazakhshoi SSR. Transactions of the Institute of Physiology, Academy of Sciences of the Kazakh. SSR. Vol. 1, Pg. 134, 1955.
guinea pig	LDLo	intramuscular	2250mg/kg (2250mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Trudy Instituta Fiziologii, Akademiya Nauk Kazakhshoi SSR. Transactions of the Institute of Physiology, Academy of Sciences of the Kazakh. SSR. Vol. 1, Pg. 134, 1955.
mouse	LD50	intramuscular	1gm/kg (1000mg/kg)		Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962.
mouse	LD50	subcutaneous	1070mg/kg (1070mg/kg)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Sapporo Igaku Zasshi. Sapporo Medical Journal. Vol. 3, Pg. 73, 1952.
rat	LD50	oral	2480mg/kg (2480mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA	Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.