Phenol, 2-propyl

Modify Date: 2025-08-24 18:03:03

Phenol, 2-propyl Structure
Phenol, 2-propyl structure
 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 N/A
MSDS Chinese USA Flash Point 200 °F
Symbol GHS07
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
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

 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

More 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...

 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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