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About This Item
Empirical Formula (Hill Notation):
C5H12O3
CAS Number:
Molecular Weight:
120.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352001
MDL number:
Form:
liquid
InChI
1S/C5H12O3/c1-5(3-6)8-4-7-2/h5-6H,3-4H2,1-2H3/t5-/m1/s1
SMILES string
COCO[C@H](C)CO
InChI key
YNDXFEKPXUXDQS-RXMQYKEDSA-N
form
liquid
optical activity
[α]/D +77.8°, c = 0.5% in chloroform
refractive index
n20/D 1.415
density
1.002 g/mL at 25 °C
functional group
ether, hydroxyl
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
167.9 °F
flash_point_c
75.5 °C
Regulatory Information
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