m-Cumenol

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Names

[ CAS No. ]:
618-45-1

[ Name ]:
m-Cumenol

[Synonym ]:
3-(1-methylethyl)benzenesulphonyl chloride
isopropylphenol, meta
UNII-ERD00478GH
Phenol, 3-(1-methylethyl)-
3-(1-methylethyl)benzenesulfonyl chloride
3-(propan-2-yl)phenol
Phenol, 3- (1-methylethyl)-
meta-isopropyl phenol
3-(PROPAN-2-YL)BENZENE-1-SULFONYL CHLORIDE
m-Isopropyl-phenol
3-(Propan-2-yl)benzolol
m-isopropylphenol
3-(2-propyl)phenol
m-Cumenol
3-Isopropylphenol
MFCD00002301
3-(1-Methylethyl)phenol
1-Hydroxy-3-isopropylbenzene
3-isopropylbenzene-1-sulfonyl chloride
3-isopropyl-phenol
EINECS 210-551-0
3-isopropylhydroxybenzene
m-cumenesulfonyl chloride
3-isopropylbenzenesulfonyl chloride

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
228.0±0.0 °C at 760 mmHg

[ Melting Point ]:
25 °C(lit.)

[ Molecular Formula ]:
C₉H₁₂O

[ Molecular Weight ]:
136.191

[ Flash Point ]:
102.8±8.2 °C

[ Exact Mass ]:
136.088821

[ PSA ]:
20.23000

[ LogP ]:
2.82

[ Appearance of Characters ]:
white to brown

[ 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 :: SL5800000

CHEMICAL NAME :: Phenol, m-isopropyl-

CAS REGISTRY NUMBER :: 618-45-1

BEILSTEIN REFERENCE NO. :: 2040880

LAST UPDATED :: 199710

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C9-H12-O

MOLECULAR WEIGHT :: 136.21

WISWESSER LINE NOTATION :: QR CY1&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 :: 1630 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

Safety Information

[ Symbol ]:

GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H314

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

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
C,Xn

[ Risk Phrases ]:
22-34

[ Safety Phrases ]:
S26-S28-S36/37/39-S45-S27

[ RIDADR ]:
UN 2430 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
SL5800000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2907199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1,3-Diisopropylbenzene
2-Iodopropane
3-Iodophenol
propene
Phenol
Cumene
3-isopropylanisole
1-isopropyl-3-nitrobenzene
3-Isopropylaniline

DownStream

2-methoxy-4-propan-2-ylbenzaldehyde
2-(3-propan-2-ylphenoxy)acetic acid
o-nitroaniline
2,4-DIISOPROPYLPHENOL
2,4,6-tri(propan-2-yl)phenol
2,5-Diisopropylphenol
Benzenesulfonic acid,2-nitro-, 3-(1-methylethyl)phenyl ester
p-Cumenol
4-IODO-3-ISOPROPYLPHENOL
2-iodo-5-isopropylphenol

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

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 and characterization of a novel 2-sec-butylphenol-degrading bacterium Pseudomonas sp. strain MS-1.

Biodegradation 21(2) , 157-65, (2010)

A novel bacterium capable of utilizing 2-sec-butylphenol as the sole carbon and energy source, Pseudomonas sp. strain MS-1, was isolated from freshwater sediment. Within 30 h, strain MS-1 completely d...