p-Cumenol

Names

[ CAS No. ]:
99-89-8

[ Name ]:
p-Cumenol

[Synonym ]:
phenol, 4-isopropyl-
p-Hydroxycumene
4-Isopropyl-phenaethylamin
EINECS 202-798-8
p-Isopropyl phenol
p-isopropyl-phenol
4-LSOPROPYLPHENOL/P-CUMENOL/P-HYDROXYCUMENE
UNII-9F59JOO816
Phenol, p-isopropyl-
4-Isopropyl-phenol
4-ISOPROPYLPHENOL FOR SYNTHESIS
4-isopropyl phenol
4-Isopropylpheno
PARA-ISOPROPYLPHENOL 99-89-8
4-(propan-2-yl)phenol
4-Isopropylphenol
1-hydroxy-4-isopropylbenzene
p-Cumenol
Phenol, 4-(1-methylethyl)-
P-ISOPROPYLPHENOL
4-isopropyl-phenethylamine
4-iso-propyl-phenol
MFCD00002372
1-<2-Amino-aethyl>-4-isopropyl-benzol
Phenol, 4- (1-methylethyl)-
para-isopropylphenol
4-Hydroxycumene

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
208.6±9.0 °C at 760 mmHg

[ Melting Point ]:
59-61 °C(lit.)

[ Molecular Formula ]:
C₉H₁₂O

[ Molecular Weight ]:
136.191

[ Flash Point ]:
95.3±8.2 °C

[ Exact Mass ]:
136.088821

[ PSA ]:
20.23000

[ LogP ]:
2.82

[ Vapour density ]:
>1 (vs air)

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.526

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SL5950000

CHEMICAL NAME :: Phenol, p-isopropyl-

CAS REGISTRY NUMBER :: 99-89-8

BEILSTEIN REFERENCE NO. :: 1363564

LAST UPDATED :: 199710

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C9-H12-O

MOLECULAR WEIGHT :: 136.21

WISWESSER LINE NOTATION :: QR DY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 875 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 46(1),94,1981

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 5,339,1953

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 40 mg/kg

TOXIC EFFECTS :: Behavioral - sleep

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,1350,1980

Safety Information

[ Symbol ]:

GHS05, GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H314-H334

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
C:Corrosive;

[ Risk Phrases ]:
R22;R34;R43;R52/53

[ Safety Phrases ]:
S26-S36/37/39-S45-S61

[ RIDADR ]:
UN 2430 8/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
SL5950000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
29071900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2907199090

[ Summary ]:
2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

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This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

[Substance toxicity and danger].

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Isolates from essential oil extracted from the flowers and leaves of Ruta graveolens and commercial phenolic analogs were evaluated using fumigant and contact toxicity bioassays against adults of the ...