(S) -Linalool

CAT: 0013-GTR19279337-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19279337-01Size:10 mg

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Description

(S) -Linalool is the enantiomer of Linalool. It can be used in the production of fragrances and flavors.

CAS Number

126-90-9

Smiles

[C@] (CCC=C (C) C) (C=C) (C) O

Molecular Formula

C10H18O

Molecular Weight

154.25

Notes

For research use only.

Chemical Information

Linalool, (+)-

(S)-linalool is the (S)-enantiomer of linalool. It is an enantiomer of a (R)-linalool.

CAS Number	126-90-9
PubChem CID	67179
IUPAC Name	(3S)-3,7-dimethylocta-1,6-dien-3-ol
Molecular Formula	C10H18O
Molecular Weight	154.25
XLogP	2.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	154

SMILES

CC(=CCC[C@@](C)(C=C)O)C

InChI

InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1

InChIKey

CDOSHBSSFJOMGT-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 126-90-9

CID: 67179

Formula: C10H18O

MW: 154.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.25
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	154.135765193
Monoisotopic Mass	154.135765193
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
281324-01	Linalool
sc-506060	(−) -Linalool