8.20238
4-tert-Butylbenzoic acid
for synthesis
别名:
4-tert-Butylbenzoic acid, PTBBA
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关于此项目
线性分子式:
4-[(CH3)3C]C6H4COOH
化学文摘社编号:
分子量:
178.23
UNSPSC Code:
12352106
EC Index Number:
202-696-3
NACRES:
NA.22
MDL number:
Assay:
≥99.0% (acidimetric)
Form:
solid
产品名称
4-tert-Butylbenzoic acid, for synthesis
SMILES string
OC(=O)c1ccc(cc1)C(C)(C)C
InChI
1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChI key
KDVYCTOWXSLNNI-UHFFFAOYSA-N
vapor pressure
<0.01 hPa ( 20 °C)
assay
≥99.0% (acidimetric)
form
solid
autoignition temp.
>510 °C
potency
473-735 mg/kg LD50, oral (Rat)
pH
3.9 (20 °C in H2O, saturated solution)
mp
165-167 °C
density
0.6 g/cm3 at 20 °C
bulk density
340 kg/m3
storage temp.
2-30°C
Quality Level
相关类别
Analysis Note
Assay (acidimetric): ≥ 99.0 %
Melting range (lower value): ≥ 165 °C
Melting range (upper value): ≤ 167 °C
Identity (IR): passes test
Melting range (lower value): ≥ 165 °C
Melting range (upper value): ≤ 167 °C
Identity (IR): passes test
signalword
Danger
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 3 - Repr. 1B - STOT RE 1
存储类别
6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
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