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102938

Sigma-Aldrich

2-Acetyl-5-norbornene, mixture of endo and exo

technical grade

Synonym(s):

Methyl 5-norbornen-2-yl ketone

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About This Item

Empirical Formula (Hill Notation):
C9H12O
CAS Number:
5063-03-6
Molecular Weight:
136.19
EC Number:
225-767-0
MDL number:
MFCD00167570
UNSPSC Code:
12352100
PubChem Substance ID:
24846589
NACRES:
NA.22

grade

technical grade

refractive index

n20/D 1.484 (lit.)

bp

84-86 °C/18 mmHg (lit.)

density

1.005 g/mL at 25 °C (lit.)

functional group

ketone

SMILES string

CC(=O)C1C[C@H]2C[C@@H]1C=C2

InChI

1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3/t7-,8+,9?/m1/s1

InChI key

NIMLCWCLVJRPFY-WGTSGOJVSA-N

General description

2-Acetyl-5-norbornene, mixture of endo and exo is a colorless to light yellow liquid.

Application

2-Acetyl-5-norbornene was used in the synthesis of the 2-acetylnorbornyl isothiocyanates: exo-2-acetyl-exo-6-isothiocyanatonorbornane, endo-2-acetyl-exo-6-isothiocyanatonorbornane and exo-2-acetyl-exo-5-isothiocyanatonorbornane.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

143.6 °F - closed cup

Flash Point(C)

62 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBK3779
STBJ4570
STBJ4469
STBJ4470
STBJ1499

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Y Zhang et al.
Proceedings of the National Academy of Sciences of the United States of America, 91(8), 3147-3150 (1994-04-12)
Sulforaphane [1-isothiocyanato-4-(methyl-sulfinyl)butane] was recently isolated from one variety of broccoli as the major and very potent inducer of phase 2 detoxication enzymes in murine hepatoma cells in culture. Since phase 2 enzyme induction is often associated with reduced susceptibility of

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