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About This Item
Linear Formula:
(2-(OH)-3-(CH3)3C-5-(CH3)C6H2)2CH2
CAS Number:
Molecular Weight:
340.50
UNSPSC Code:
12352104
EC Index Number:
204-327-1
NACRES:
NA.22
MDL number:
vapor pressure
<1 hPa
Quality Segment
assay
≥96.0% (GC)
form
crystals
autoignition temp.
350 °C
potency
4880 mg/kg LD50, oral (Rat), >2000 mg/kg LD50, skin (Rabbit)
pH
4-7 (20 °C in H2O, aqueous suspension)
mp
125-132 °C (Lit.)
transition temp
flash point 185 °C
solubility
practically insoluble 0.007 mg/L
density
1.07 g/cm3 at 20 °C
bulk density
300 kg/m3
storage temp.
2-30°C
SMILES string
Oc1c(cc(cc1Cc2c(c(cc(c2)C)C(C)(C)C)O)C)C(C)(C)C
InChI
1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3
InChI key
KGRVJHAUYBGFFP-UHFFFAOYSA-N
Analysis Note
Assay (GC, area%): ≥ 96.0 % (a/a)
Melting range (lower value): ≥ 125 °C
Melting range (upper value): ≤ 132 °C
Identity (IR): passes test
Melting range (lower value): ≥ 125 °C
Melting range (upper value): ≤ 132 °C
Identity (IR): passes test
signalword
Danger
hcodes
Hazard Classifications
Repr. 1B
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
flash_point_f
365.0 °F - Pensky-Martens closed cup
flash_point_c
185 °C - Pensky-Martens closed cup
wgk
WGK 2
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