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Merck
CN

34655

Sigma-Aldrich

Di-tert-butylcyclopentadiene

mixture of isomers, ≥95.0% (GC)

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About This Item

Empirical Formula (Hill Notation):
C13H22
CAS Number:
Molecular Weight:
178.31
Beilstein:
3537135
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay

≥95.0% (GC)

form

liquid

refractive index

n20/D 1.467

density

0.836 g/mL at 20 °C (lit.)

application(s)

diagnostic assay manufacturing
hematology
histology

storage temp.

2-8°C

SMILES string

CC(C)(C)C1C=CC(=C1)C(C)(C)C

InChI

1S/C13H22/c1-12(2,3)10-7-8-11(9-10)13(4,5)6/h7-10H,1-6H3

InChI key

RADVPPBTEASJRZ-UHFFFAOYSA-N

General description

Preparation of di-tert-butylcyclopentadiene by phase-transfer-catalyzed alkylation has been reported. It reacts with excess potassium tert-butoxide in the presence of elemental selenium to yield cyclopentadienes bridged by two or three selenium atoms through one or two diselenoketal functionalities. It reacts with excess potassium tert-butoxide in the presence of elemental sulfur to yield cyclopentadienes bridged by sulfur atoms via one or two dithioketal functionalities.

Application

Di-tert-butylcyclopentadiene may be used in the preparation of 2,5,4′,6′-tetra-tert-butyl-5′H-spirocyclopentane-1,2′-cyclopenta[b][1,3]diselena-2,4-diene and 1,3,5,7-tetra-tert-butyl-3a,7a-dihydro-3a,7a-epi-selenodicyclopenta[b,e][1,4]diselenine.

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

48.2 °F - closed cup

Flash Point(C)

9 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Di-tert-butylcyclopentadiene and tri-tert-butylcyclopentadiene.
Venier CG and Casserly EW.
Journal of the American Chemical Society, 112(7), 2808-2809 (1990)
Cyclopentadienone cyclopentadienediyl dithioketals.
Thaler G, et al.
Inorgorganica Chimica Acta, 304(2), 184-189 (2000)
Cyclopentadienone Cyclopentadienediyl Diselenoketals.
Thaler G, et al.
European Journal of Inorganic Chemistry, 7, 973-976 (1998)

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