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About This Item
Empirical Formula (Hill Notation):
C7H10O4
CAS Number:
Molecular Weight:
158.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Assay:
95%
InChI
1S/C7H10O4/c1-2-10-7(9)5-3-4-6(8)11-5/h5H,2-4H2,1H3/t5-/m1/s1
SMILES string
CCOC(=O)[C@H]1CCC(=O)O1
InChI key
MJQGWRVDIFBMNW-RXMQYKEDSA-N
assay
95%
optical activity
[α]20/D −12°, c = 0.4 in ethanol
refractive index
n20/D 1.448 (lit.)
bp
151-155 °C/12 mmHg (lit.)
density
1.163 g/mL at 25 °C (lit.)
functional group
ester
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Regulatory Information
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