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About This Item
Empirical Formula (Hill Notation):
C8H12O4
CAS Number:
Molecular Weight:
172.18
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Quality Level
Assay
97%
form
solid
mp
175-179 °C
functional group
carboxylic acid
SMILES string
OC(=O)C1(CCCCC1)C(O)=O
InChI
1S/C8H12O4/c9-6(10)8(7(11)12)4-2-1-3-5-8/h1-5H2,(H,9,10)(H,11,12)
InChI key
QYQADNCHXSEGJT-UHFFFAOYSA-N
Related Categories
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
WGK
WGK 3
Regulatory Information
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