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About This Item
Empirical Formula (Hill Notation):
C8H10O
CAS Number:
Molecular Weight:
122.16
PubChem Substance ID:
UNSPSC Code:
12352200
Beilstein/REAXYS Number:
2039798
MDL number:
bp
88-89 °C/10 mmHg (lit.)
mp
9-11 °C (lit.)
density
1.012 g/mL at 20 °C (lit.)
storage temp.
2-8°C
SMILES string
C[C@@H](O)c1ccccc1
InChI
1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1
InChI key
WAPNOHKVXSQRPX-SSDOTTSWSA-N
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
185.0 °F - closed cup
flash_point_c
85 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Sachiko Sugimoto et al.
Phytochemistry, 108, 189-195 (2014-12-03)
Three aromatic glycosides (1-3), two sulfur and nitrogen-containing compound glucosides (4, 5), and one flavonoid glycoside (6) were isolated from the leaves of Ixora undulata. Their structures were established by extensive 1D, 2D NMR, and HRESIMS experiments, and structure 4
