Limonene Impurity 4

CAT: 1596-AR-L07283-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07283-02Size:25 Units

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CAS Number

1946-00-5

Molecular Formula

C10H18O2

Molecular Weight

170.25

API Name

Limonene

Chemical Information

Limonene-1,2-diol

Limonene-1,2-diol is a limonene monoterpenoid. It derives from a hydride of a limonene.

CAS Number	1946-00-5
PubChem CID	94217
IUPAC Name	1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
Molecular Formula	C10H18O2
Molecular Weight	170.25
XLogP	1.5
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	188

SMILES

CC(=C)C1CCC(C(C1)O)(C)O

InChI

InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3

InChIKey

WKZWTZTZWGWEGE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1946-00-5

CID: 94217

Formula: C10H18O2

MW: 170.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.25
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	170.130679813
Monoisotopic Mass	170.130679813
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-L07282-01	Limonene Impurity 3
AR-L07281-01	Limonene Impurity 2
AR-L07287-01	Limonene Impurity 1
AR-L07284-01	Limonene Impurity 5
AR-L06107-01	(±) -Limonene
AR-L07286-01	Limonene-d5 (Terpin EP Impurity C-d5)
AR-L07285-01	Limonene Chlorohydrin (Terpin EP Impurity C Chlorohydrin)
AR-L01679-01	(S) - (-) -Limonene
AR-L01677-01	(R) - (+) -Limonene
AR-L01678-01	(R) - (+) -Limonene-d3