Phenol, 2-propyl-

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Names

[ CAS No. ]:
644-35-9

[ Name ]:
Phenol, 2-propyl-

[Synonym ]:
FEMA 3522
2-PROPYLPHENOL
2(n-propyl)phenol
ortho-propylphenol
o-propyl-pheno
Phenol,o-propyl
O-N-PROPYLPHENOL
EINECS 211-415-3
o-propyl-phen
MFCD00002251
2-propyl-pheno
n-propylphenol
Phenol,2-propyl
propylphenol
o-Propylphenol

Chemical & Physical Properties

[ Density]:
0.989 g/mL at 25 °C(lit.)

[ Boiling Point ]:
224-226 °C(lit.)

[ Molecular Formula ]:
C₉H₁₂O

[ Molecular Weight ]:
136.19100

[ Flash Point ]:
200 °F

[ Exact Mass ]:
136.08900

[ PSA ]:
20.23000

[ LogP ]:
2.34470

[ Index of Refraction ]:
n20/D 1.527(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SM8600000

CHEMICAL NAME :: Phenol, o-propyl-

CAS REGISTRY NUMBER :: 644-35-9

BEILSTEIN REFERENCE NO. :: 1363932

LAST UPDATED :: 199710

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C9-H12-O

MOLECULAR WEIGHT :: 136.21

WISWESSER LINE NOTATION :: QR B3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

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

REFERENCE :: ETATAW Eesti NSV Teaduste Akadeemia Toimetised, Biologia. Proceedings of the Academy of Sciences of the Estonian SSR. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.5- 1956- Volume(issue)/page/year: 24,281,1975

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 356 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: 39(7),94,1974

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 450 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: 39(7),94,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3640 mg/kg/26W-I

TOXIC EFFECTS :: Liver - hepatitis (hepatocellular necrosis), zonal Liver - changes in liver weight Endocrine - changes in adrenal weight

REFERENCE :: ETATAW Eesti NSV Teaduste Akadeemia Toimetised, Biologia. Proceedings of the Academy of Sciences of the Estonian SSR. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.5- 1956- Volume(issue)/page/year: 24,281,1975

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H315-H319-H332-H335

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

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

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38

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

[ RIDADR ]:
UN 3145 8/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
SM8600000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
29071900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-Allylphenol
2-Propionylphenol
1-triethylsilyloxy-2-(2-propenyl)benzene
(E)-β-methyl o-hydroxylstyrene
2-Methyl-2,3-dihydro-1-benzofuran
bis[2-(2,3-dihydrobenzofuranyl)methyl]tellurium dichloride
2-Methylbenzofuran
Propanoic acid, phenylester
2-(methylthiomethyl)-2,3-dihydrobenzofuran
n-propylbenzene

DownStream

2-butyl-6-propylphenol
4-Propylphenol
Phenol, 2,6-dipropyl-
2,4-dipropylphenol
Phenol
Propylcyclohexane
(+/-)-cis-2-Isopropyl-cyclohexanol
Salicylic acid
1-Methoxy-2-propylbenzene
2-HYDROXY-3-PROPYL-BENZALDEHYDE

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

Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.

J. Med. Chem. 48 , 7234-42, (2005)

In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspas...

Selection of Pseudomonas sp. strain HBP1 Prp for metabolism of 2-propylphenol and elucidation of the degradative pathway.

Appl. Environ. Microbiol. 59(3) , 860-6, (1993)

A mutant of Pseudomonas sp. strain HBP1, originally isolated on 2-hydroxybiphenyl, was selected for the ability to grow on 2-propylphenol as the sole carbon and energy source. In the mutant strain, wh...

HbpR, a new member of the XylR/DmpR subclass within the NtrC family of bacterial transcriptional activators, regulates expression of 2-hydroxybiphenyl metabolism in Pseudomonas azelaica HBP1.

J. Bacteriol. 182(2) , 405-17, (2000)

The regulation of 2-hydroxybiphenyl and 2,2'-dihydroxybiphenyl degradation in Pseudomonas azelaica is mediated by the regulatory gene, hbpR. The hbpR gene encodes a 63-kDa protein belonging to the Ntr...