CAS 99-89-8|p-Cumenol

Introduction：Basic information about CAS 99-89-8|p-Cumenol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles9
7. Synonyms

Common Name	p-Cumenol
CAS Number	99-89-8	Molecular Weight	136.191
Density	1.0±0.1 g/cm3	Boiling Point	208.6±9.0 °C at 760 mmHg
Molecular Formula	C₉H₁₂O	Melting Point	59-61 °C(lit.)
MSDS	ChineseUSA	Flash Point	95.3±8.2 °C
Symbol	GHS05, GHS07, GHS08	Signal Word	Danger

Names

Name	4-Isopropylphenol
Synonym	More Synonyms

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
InChIKey	YQUQWHNMBPIWGK-UHFFFAOYSA-N
SMILES	CC(C)c1ccc(O)cc1

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

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%

Articles9

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

Bioorg. Med. Chem. 17 , 896-904, (2009)

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].

Gig. Sanit. (1) , 94, (1981)

Isolation of Insecticidal Constituent from Ruta graveolens and Structure-Activity Relationship Studies against Stored-Food Pests (Coleoptera).

J. Food Prot. 78 , 1536-40, (2015)

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 ...

Synonyms

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

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