Ocimene

CAT: 0013-GTR19260380-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19260380-03Size:100 mg

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Description

Ocimene is a natural product.

CAS Number

13877-91-3

Purity

>98% (HPLC)

Solubility

DMSO : 100 mg/mL (734.05 mM; ultraphonic)

Smiles

C=CC (=CCC=C (C) C) C

Molecular Formula

C10H16

Molecular Weight

136.23

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

beta-Ocimene

beta-ocimene has been reported in Pilocarpus microphyllus, Humulus lupulus, and other organisms with data available.

CAS Number	13877-91-3
PubChem CID	18756
IUPAC Name	3,7-dimethylocta-1,3,6-triene
Molecular Formula	C10H16
Molecular Weight	136.23
XLogP	4.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	155

SMILES

CC(=CCC=C(C)C=C)C

InChI

InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3

InChIKey

IHPKGUQCSIINRJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13877-91-3

CID: 18756

Formula: C10H16

MW: 136.23

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	136.23
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	136.125200510
Monoisotopic Mass	136.125200510
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	155
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
sc-236231A	Ocimene
TN6815-01	β-Ocimene
HY-117215R	β-Ocimene (Standard)
TN7541-01	Trans-β-Ocimene
sc-500803	Ocimene quintoxide
469747-01	β-Ocimene-D6
469746-01	β-Ocimene discontinued
BUP19914-01	SS-Ocimene
TRC-O150010-500MG	b-Ocimene (>90%)
TRC-O150010-1G	beta-Ocimene (>90%)

Ocimene

Chemical Information

Alternative Products

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