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1,4-Cineole

1,4-Cineole structure

CAS No:
470-67-7
Formula:
C10H18O
Chemical Name:
1,4-Cineole
Synonyms:
7-Oxabicyclo[2.2.1]heptane,1-methyl-4-(1-methylethyl)-;p-Menthane,1,4-epoxy-;7-Oxabicyclo[2.2.1]heptane,1-isopropyl-4-methyl-;1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane;1,4-Cineole;Isocineole;1,4-Cineol;1-Methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane;21499-90-1
Categories:
Cosmetic Ingredient > Perfuming

Description

1,4-Cineole is a widely distributed, natural, oxygenated monoterpene[1]. 1,4-Cineole, present in eucalyptus oil, activates both human TRPM8 and human TRPA1[2].

Liquid|colourless mobile liquid; camphor like aroma

1,4-cineole is an oxabicycloalkane consisting of p-menthane with an epoxy bridge across positions 1 and 4. It has a role as a plant metabolite, a fumigant insecticide and a central nervous system depressant. It is a cineole and an oxabicycloalkane.

1,4-Cineole Basic Attributes

Molecular Weight：

154.25

Exact Mass：

154.25

EC Number：

207-428-9

UNII：

B55JTU839B

DSSTox ID：

DTXSID3047396

Color/Form：

COLORLESS LIQ

Characteristics

PSA：

9.2

XLogP3：

2.97

Appearance：

Liquid

Density：

0.8997 g/cm³ @ Temp: 20 °C

Melting Point：

1 °C

Boiling Point：

173-174 °C

Flash Point：

118 °F

Refractive Index：

1.491

Water Solubility：

SLIGHTLY SOL IN WATER; SOL IN BENZENE, PETROLEUM ETHER; SOL IN ALL PROPORTION IN ETHER, ALC

Vapor Pressure：

1.93 mmHg

Odor：

MINTY LIME OIL ODOR

Taste：

MINTY LIME OIL TASTE

Experimental Properties：

TERPENE ETHER HAVING A CAMPHOR-LIKE ODOR AND PUNGENT, COOLING, SPICY TASTE; CONGEALING POINT: NOT BELOW 0 °C; MISCIBLE WITH CHLOROFORM, GLACIAL ACETIC ACID, & FIXED OR VOLATILE OILS /EUCALYPTOL/

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

safety instructions：

RTECS Number：

OS9274000

Precautionary statement(s)：

P210-P403 + P235

Hazard Statements：

H226

FDA Requirements：

172.515.

Toxicity

Natural Pollution Sources：

REPORTED PRESENT IN PIPER CUBEBA. IT IS ALSO PRESENT IN VARIOUS ESSENTIAL OILS: BOLDEA FRAGRANS JUSS. XANTHOXYLUM RHETSA DC, & ORMENIS MULTICAULIS.

Drug Information

Reported Fatal Dose：

4. 4= VERY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 50-500 MG/KG, BETWEEN 1 TEASPOON & 1 OUNCE FOR 70 KG PERSON (150 LB). /EUCALYPTOL/

Metabolism/Metabolites：

1_4_cineole has known human metabolites that include 7-Oxabicyclo[2.2.1]heptan-2-ol, 1-methyl-4-(1-methylethyl)-.

Human Toxicity Excerpts：

...1 ML HAS CAUSED TRANSIENT COMA. FATALITIES HAVE FOLLOWED DOSES AS SMALL AS 3.5 ML, & RECOVERY HAS OCCURRED AFTER DOSE OF 20 & EVEN 30 ML. SYMPTOMS INCLUDE EPIGASTRIC BURNING WITH NAUSEA & USUALLY VOMITING, VERTIGO, ATAXIA, MUSCLE WEAKNESS, STUPOR, PALLOR & SOMETIMES CYANOSIS, RESP STRIDOR (EDEMA), & MIOSIS. /EUCALYPTOL/|DELIRIUM AND OCCASIONAL CONVULSIONS OCCUR. RARELY SYMPTOMS MAY BE DELAYED FOR 2 HR. /EUCALYPTOL/

MeSH Entry Terms：

1,4-cineole

1,4-Cineole Use and Manufacturing

Methods of Manufacturing

PROBABLY BY FRACTIONAL DISTILLATION OF ESSENTIAL OILS, EG, PINE OIL

Uses

GB/T (14156-93) is listed as a permitted food spice.

Production

(1979) No Data|(1981) No Data

Manufacturing Info：

7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:154.25
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:154.135765193
Monoisotopic Mass:154.135765193
Topological Polar Surface Area:9.2
Heavy Atom Count:11
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4-Cineole

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1,4-Cineole

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