4-Propylphenol

Modify Date: 2026-07-01 08:23:29

4-Propylphenol structure	Common Name	4-Propylphenol
	CAS Number	645-56-7	Molecular Weight	136.191
	Density	1.0±0.1 g/cm3	Boiling Point	232.6±0.0 °C at 760 mmHg
	Molecular Formula	C₉H₁₂O	Melting Point	22°C
	MSDS	Chinese USA	Flash Point	106.1±0.0 °C
	Symbol	GHS07	Signal Word	Warning

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	4-Propylphenol
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.0±0.1 g/cm3
Boiling Point	232.6±0.0 °C at 760 mmHg
Melting Point	22°C
Molecular Formula	C₉H₁₂O
Molecular Weight	136.191
Flash Point	106.1±0.0 °C
Exact Mass	136.088821
PSA	20.23000
LogP	3.01
Vapour Pressure	0.0±0.4 mmHg at 25°C
Index of Refraction	1.529

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

4-Propylphenol MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SM8610000

CHEMICAL NAME :: Phenol, p-propyl-

CAS REGISTRY NUMBER :: 645-56-7

BEILSTEIN REFERENCE NO. :: 1363429

LAST UPDATED :: 199710

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C9-H12-O

MOLECULAR WEIGHT :: 136.21

WISWESSER LINE NOTATION :: QR D3

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 :: 348 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 :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 81 mg/kg

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

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: 18,868,1975

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 675 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 :: Mammal - species unspecified

DOSE/DURATION :: 540 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: 45(10),16,1980

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 2150 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: 45(10),16,1980 ** 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 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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

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	R20/21/22;R36/37/38
Safety Phrases	S26-S28-S36/37/39-S45
RIDADR	UN 3145 8/PG 3
WGK Germany	3
RTECS	SM8610000
Packaging Group	III
Hazard Class	8
HS Code	29071900

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 9
CAS#:70-70-2 1-(4-Hydroxyphe... CAS#:102260-54-8 4-propyl-4-brom... CAS#:4180-23-8 trans-Anethole CAS#:123-38-6 Propionaldehyde
CAS#:108-95-2 Phenol CAS#:4397-53-9 4-(Benzyloxy)be... CAS#:104-45-0 4-n-propylanisole CAS#:1576-13-2 4-[1-(4-hydroxy...
CAS#:103-65-1 n-propylbenzene
DownStream 8
CAS#:1678-92-8 Propylcyclohexane CAS#:40649-36-3 4-Propylcyclohe... CAS#:77866-58-1 4-Propylcyclohexanol CAS#:52204-65-6 4-Propylcyclohexanol
CAS#:104-45-0 4-n-propylanisole CAS#:103-65-1 n-propylbenzene CAS#:13487-64-4 4-propylcyclohexene CAS#:20601-85-8 Tetrahydromagnolol

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

This table lists relevant public references with title, journal and publication metadata for this compound.

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...

A convenient screening method to differentiate phenolic skin whitening tyrosinase inhibitors from leukoderma-inducing phenols.

J. Dermatol. Sci. 80 , 18-24, (2015)

Tyrosinase is able to oxidize a great number of phenols and catechols to form ortho-quinones. Ortho-quinones are highly reactive compounds that exert cytotoxicity through binding with thiol enzymes an...

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...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Ratio of kcat/Km determined for catalytic efficiency in sulfonation against AST IV
Source: ChEMBL
Target: Sulfotransferase 1A1
External Id: CHEMBL846524

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Protein interaction energy by using binding affinity towards human L-xylulose reducta...
Source: ChEMBL
Target: L-xylulose reductase
External Id: CHEMBL706159

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898

Total 195, Current Page 1 of 20

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

UNII-H27VG833JY

Dihydrochavicol

p-n-Pr-C6H4-OH

p-propyl-pheno

EINECS 211-446-2

Phenol,p-propyl

MFCD00002395

3PO

4-propyl-pheno

4-Propylbenzolol

Phenol,4-propyl

1-Hydroxy-4-n-propylbenzene

p-n-propylphenol

Phenol, p-propyl-,

FEMA 3649

p-Propylphenol

4-n-propylphenol

3-(4-Hydroxyphenyl)-1-propane

4-Propylphenol

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the downstream products of 4-Propylphenol?

A: Related downstream products(CAS) of 4-Propylphenol: 1678-92-8;40649-36-3;77866-58-1;52204-65-6;104-45-0;103-65-1;13487-64-4;20601-85-8.

Q: What is the molecular weight of 4-Propylphenol?

A: Molecular weight of 4-Propylphenol is 136.191.

Q: What is the boiling point of 4-Propylphenol?

A: Boiling point of 4-Propylphenol is 232.6±0.0 °C at 760 mmHg.

Q: What is the polar surface area (PSA) of 4-Propylphenol?

A: Polar surface area (PSA) of 4-Propylphenol is 20.23000.

Q: What is the molecular formula of 4-Propylphenol?

A: Molecular formula of 4-Propylphenol is C9H12O.

Q: What is the English name of 4-Propylphenol?

A: The English name of 4-Propylphenol is 4-Propylphenol.

Q: What is the CAS number of 4-Propylphenol?

A: CAS number of 4-Propylphenol is 645-56-7.

Q: What are the upstream materials of 4-Propylphenol?

A: Related upstream materials(CAS) of 4-Propylphenol: 70-70-2;102260-54-8;4180-23-8;123-38-6;108-95-2;4397-53-9;104-45-0;1576-13-2;103-65-1.

Q: What is the melting point of 4-Propylphenol?

A: Melting point of 4-Propylphenol is 22°C.

Q: What is the LogP of 4-Propylphenol?

A: LogP of 4-Propylphenol is 3.01.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 4-Propylphenol
Price: Check
Purity: 99.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4-Propylphenol
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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4-Propylphenol

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Articles5

4-PropylphenolBioassay

Synonyms

4-Propylphenol | FAQ

4-Propylphenolfactory

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.