CAS 644-35-9|Phenol, 2-propyl-

Introduction：Basic information about CAS 644-35-9|Phenol, 2-propyl-, 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. Articles3
7. Synonyms

Common Name	Phenol, 2-propyl-
CAS Number	644-35-9	Molecular Weight	136.19100
Density	0.989 g/mL at 25 °C(lit.)	Boiling Point	224-226 °C(lit.)
Molecular Formula	C₉H₁₂O	Melting Point	/
MSDS	ChineseUSA	Flash Point	200 °F
Symbol	GHS07	Signal Word	Warning

Names

Name	2-n-propylphenol
Synonym	More Synonyms

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.)
InChIKey	LCHYEKKJCUJAKN-UHFFFAOYSA-N
SMILES	CCCc1ccccc1O

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

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%

Articles3

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...

Synonyms

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

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