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About This Item
Linear Formula:
(2-(CH3)-4-(OH)-5-((CH3)3C)C6H2)2S
CAS Number:
Molecular Weight:
358.54
MDL number:
UNSPSC Code:
12352104
EC Index Number:
202-525-2
NACRES:
NA.22
Assay:
≥99.0% (HPLC)
Form:
powder
Quality Level
assay
≥99.0% (HPLC)
form
powder
autoignition temp.
402 °C
potency
2345 mg/kg LD50, oral (Rat)
mp
158-162 °C
transition temp
flash point 215 °C
storage temp.
2-30°C
SMILES string
S(c2c(cc(c(c2)C(C)(C)C)O)C)c1c(cc(c(c1)C(C)(C)C)O)C
InChI
1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3
InChI key
HXIQYSLFEXIOAV-UHFFFAOYSA-N
Analysis Note
Assay (HPLC, area%): ≥ 99.0 % (a/a)
Melting range (lower value): ≥ 158 °C
Melting range (upper value): ≤ 162 °C
Identity (IR): passes test
Melting range (lower value): ≥ 158 °C
Melting range (upper value): ≤ 162 °C
Identity (IR): passes test
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signalword
Warning
hcodes
Hazard Classifications
Aquatic Acute 1 - Aquatic Chronic 1 - Skin Sens. 1
Storage Class
11 - Combustible Solids
wgk
WGK 2
Certificates of Analysis (COA)
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