Eucalyptol; Cineole

CAT: 1299-RM-E032100-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E032100-02Size:25 mg

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CAS Number

470-82-6

Synonyms

1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane; 1,8-Cineole; 1,8-Epoxy-p-menthane

Molecular Formula

C10H18O

Molecular Weight

154.25

Target Alternative Name

Eucalyptol; Cineole

Product Name Synonym

1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane; 1,8-Cineole; 1,8-Epoxy-p-menthane

Chemical Information

1,8-Cineole

1,8-cineole is a cineole. It has a role as a flavouring agent.

CAS Number	470-82-6
PubChem CID	2758
IUPAC Name	1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
Molecular Formula	C10H18O
Molecular Weight	154.25
XLogP	2.5
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	164

SMILES

CC1(C2CCC(O1)(CC2)C)C

InChI

InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3

InChIKey

WEEGYLXZBRQIMU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 470-82-6

CID: 2758

Formula: C10H18O

MW: 154.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.25
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	154.135765193
Monoisotopic Mass	154.135765193
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	164
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes