Linalool Impurity 2

CAT: 1596-AR-L07396-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07396-01Size:10 Units

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CAS Number

30884-46-9

Synonyms

1- (tert-butoxy) -2-methylpropan-2-ol

Molecular Formula

C8H18O2

Molecular Weight

146.23

API Name

Linalool

Chemical Information

1-(Tert-butoxy)-2-methylpropan-2-ol

CAS Number	30884-46-9
PubChem CID	18356768
IUPAC Name	2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-ol
Molecular Formula	C8H18O2
Molecular Weight	146.23
XLogP	1
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	100

SMILES

CC(C)(C)OCC(C)(C)O

InChI

InChI=1S/C8H18O2/c1-7(2,3)10-6-8(4,5)9/h9H,6H2,1-5H3

InChIKey

YSRORJUJOPESIQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 30884-46-9

CID: 18356768

Formula: C8H18O2

MW: 146.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.23
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	146.130679813
Monoisotopic Mass	146.130679813
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	100
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

Catalog	Name
AR-L07388-01	Linalool Impurity 1
AR-L07394-01	(R) -Linalool
AR-L07389-01	Linalool Oxide
AR-L07395-01	(S) -Linalool
AR-L07393-01	Cis-Linalool Oxide
AR-L07390-01	Linalool Oxide Acetate
AR-L06184-01	Trans-Linalool Oxide
AR-D02359-01	Doxofylline Impurity 2 (Theophylline Impurity 2)
AR-N01598-01	Nintedanib Impurity 2 (Intedanib Impurity 2)
AR-L02048-01	Loxoprofen Impurity 2 (Dimer Impurity)

Catalog	Name
281324-01	Linalool
sc-506060	(−) -Linalool