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Safety Information

C109207

Sigma-Aldrich

1,5-Cyclooctadiene

contains 50-150 ppm 4-tert-Butylcatechol, 99%

Synonym(s):

1,5-COD, cis-1,5-Cyclooctadiene, COD

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About This Item

Empirical Formula (Hill Notation):
C8H12
CAS Number:
111-78-4
Molecular Weight:
108.18
Beilstein:
2036542
EC Number:
203-907-1
MDL number:
MFCD00001752
UNSPSC Code:
12352100
PubChem Substance ID:
24892340
NACRES:
NA.22

vapor pressure

25.8 mmHg ( 37.7 °C)
6.8 mmHg ( 25 °C)

Assay

99%

form

liquid

autoignition temp.

431 °F

contains

50-150 ppm 4-tert-Butylcatechol as stabilizer
50-150 ppm 4-tert-Butylcatechol

refractive index

n20/D 1.493 (lit.)

bp

149-150 °C (lit.)

mp

−69 °C (lit.)

density

0.882 g/mL at 25 °C (lit.)

SMILES string

C1CC=CCCC=C1

InChI

1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-

InChI key

VYXHVRARDIDEHS-QGTKBVGQSA-N

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Application

  • Bis(Aluminyl)Magnesium: A Source of Nucleophilic or Radical Aluminium-Centred Reactivity.: Investigates 1,5-Cyclooctadiene′s ability to stabilize reactive intermediates in metal complexes, which is crucial for developing new pharmaceutical agents and enhancing ligand efficiency in transition metal catalysis (Griffin et al., 2024).

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

100.4 °F - closed cup

Flash Point(C)

38 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

C109207-500ML:
C109207-VAR:
C109207-1L:
C109207-BULK:
C109207-100ML:
C109207-4L:

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Certificates of Analysis (COA)

Lot/Batch Number
STBK8719
STBK5520
STBJ5239
STBF4414V
STBF1075V

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Eleonora Cavallari et al.
The journal of physical chemistry. B, 119(31), 10035-10041 (2015-07-15)
Hyperpolarization of (13)C carboxylate signals of metabolically relevant molecules, such as acetate and pyruvate, was recently obtained by means of ParaHydrogen Induced Polarization by Side Arm Hydrogenation (PHIP-SAH). This method relies on functionalization of the carboxylic acid with an unsaturated
Adrian Tlahuext-Aca et al.
Dalton transactions (Cambridge, England : 2003), 43(42), 15997-16005 (2014-09-19)
Ni(0)-catalyzed dehydrogenation of benzylic-type imines was performed to yield asymmetrical tetra-substituted imidazoles and 2-imidazolines. This was achieved with a single operational step while maintaining good selectivity and atom economy. The catalytic system shows low to moderate tolerance for fluoro-, trifluoromethyl-

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