Terpinyl Acetate

CAT: 0244-S5691-25mgSize: 25 mgDry Ice: NoHazardous: No

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CAT#:0244-S5691-25mgSize:25 mg

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CAS Number

80-26-2

Chemical Information

alpha-Terpinyl acetate

Alpha-Terpinyl acetate is a p-menthane monoterpenoid.

CAS Number	80-26-2
PubChem CID	111037
IUPAC Name	2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
Molecular Formula	C12H20O2
Molecular Weight	196.29
XLogP	2.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	251

SMILES

CC1=CCC(CC1)C(C)(C)OC(=O)C

InChI

InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3

InChIKey

IGODOXYLBBXFDW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80-26-2

CID: 111037

Formula: C12H20O2

MW: 196.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.29
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	196.146329876
Monoisotopic Mass	196.146329876
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	251
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
KAA23563-01	γ-Terpinyl acetate
MBS5758910	Terpinyl Acetate
sc-233786	(±) -α-Terpinyl acetate
GTR19248395-01	β-Terpinyl acetate
HY-N7136-01	α-Terpinyl acetate
BUP19297	A-?Terpinyl acetate
HY-N7136R	α-?Terpinyl acetate (Standard)
TRC-T822080-25MG	gamma-Terpinyl Acetate
237975	Terpinyl Acetate for Synthesis 95.0%
T01333-01	Terpinyl formate