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About This Item
Empirical Formula (Hill Notation):
C21H28O4
CAS Number:
Molecular Weight:
344.44
MDL number:
UNSPSC Code:
41116107
NACRES:
NA.24
grade
certified reference material
Quality Segment
form
liquid
feature
Snap-N-Spike®/Snap-N-Shoot®
packaging
ampule of 1 mL
manufacturer/tradename
Cerilliant®
concentration
1 mg/mL in methanol
technique(s)
gas chromatography (GC): suitable, liquid chromatography (LC): suitable
application(s)
forensics and toxicology
format
single component solution
storage temp.
−20°C
SMILES string
OC1=CC(CCCCC)=CC(O)=C1C2C(C(C)=C)CCC(C(O)=O)=C2
InChI
1S/C21H28O4/c1-4-5-6-7-14-10-18(22)20(19(23)11-14)17-12-15(21(24)25)8-9-16(17)13(2)3/h10-12,16-17,22-23H,2,4-9H2,1,3H3,(H,24,25)
InChI key
LQHAPFLIUQWVJR-UHFFFAOYSA-N
Legal Information
CERILLIANT is a registered trademark of Merck KGaA, Darmstadt, Germany
Snap-N-Shoot is a registered trademark of Cerilliant Corporation
Snap-N-Spike is a registered trademark of Merck KGaA, Darmstadt, Germany
signalword
Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1
target_organs
Eyes
Storage Class
3 - Flammable liquids
wgk
WGK 2
flash_point_f
49.5 °F - closed cup
flash_point_c
9.7 °C - closed cup
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