p-Tolualdehyde

Modify Date: 2026-07-10 18:16:30

p-Tolualdehyde Structure
p-Tolualdehyde structure
Common Name p-Tolualdehyde
CAS Number 104-87-0 Molecular Weight 120.148
Density 1.015 Boiling Point 204-205 ºC
Molecular Formula C8H8O Melting Point -6 °C
MSDS Chinese USA Flash Point 80 ºC
Symbol GHS07
GHS07
Signal Word Warning

 Use of p-Tolualdehyde


p-Tolualdehyde is an endogenous metabolite.

 Names

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

Name p-tolualdehyde
Synonym More Synonyms

 p-Tolualdehyde Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description p-Tolualdehyde is an endogenous metabolite.
Related Catalog
Target

Human Endogenous Metabolite

 Chemical & Physical Properties

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

Density 1.015
Boiling Point 204-205 ºC
Melting Point -6 °C
Molecular Formula C8H8O
Molecular Weight 120.148
Flash Point 80 ºC
Exact Mass 120.057518
PSA 17.07000
LogP 2.10
Vapour Pressure 0.3±0.4 mmHg at 25°C
Index of Refraction 1.558
InChIKey FXLOVSHXALFLKQ-UHFFFAOYSA-N
SMILES Cc1ccc(C=O)cc1
Water Solubility 0.25 g/L (25 ºC)

 MSDS

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

 Toxicological Information

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CU7034500
CHEMICAL NAME :
Benzaldehyde, 4-methyl-
CAS REGISTRY NUMBER :
104-87-0
LAST UPDATED :
199710
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C8-H8-O
MOLECULAR WEIGHT :
120.16

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533443
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533443 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1600 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533443
TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2200 mg/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533443
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533443
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3200 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533443
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Skin and Appendages - hair
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533443

 Safety Information

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

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-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;R36/38
Safety Phrases S26-S36-S37/39
RIDADR NA 1993 / PGIII
WGK Germany 1
RTECS CU7034500
Packaging Group I; II; III
HS Code 2912299000

 Synthetic Route

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

 Customs

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

HS Code 2912299000
Summary 2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

 Articles10

More Articles

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

Synthesis, luminescence, and electrochemical studies of a new series of octanuclear ruthenium(II) complexes of tolylterpyridine appended calixresorcarenes.

Dalton Trans. 44 , 14813-22, (2015)

A new series of octanuclear Ru(ii) complexes of tolylterpyridine appended calixresorcarenes [{Ru(ttpy)}8()](PF6)16 (), [{Ru(ttpy)}8()](PF6)16 (), and [{Ru(ttpy)}8()](PF6)16 () [ = 2,8,14,20-tetraethyl...

Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

J. Med. Chem. 48 , 440-9, (2005)

The purpose of this study was to develop screening and in silico modeling methods to obtain accurate information on the active center of CYP2A6, a nicotine oxidizing enzyme. The inhibitory potencies o...

Toward the development of chemoprevention agents. Part 1: Design, synthesis, and anti-inflammatory activities of a new class of 2,5-disubstituted-dioxacycloalkanes.

Bioorg. Med. Chem. 15 , 4775-99, (2007)

A new class of 2,5-disubstituted-dioxacycloalkanes were designed and synthesized via stereoselective synthetic method as cancer chemoprevention agents. The anti-inflammatory activities of these compou...

 p-TolualdehydeBioassay

View more

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

Name: Inhibitory concentration against mouse cytochrome P450 2A5
Source: ChEMBL
Target: Cytochrome P450 2A5
External Id: CHEMBL832818
Name: Inhibitory concentration against human cytochrome P450 2A6
Source: ChEMBL
Target: Cytochrome P450 2A6
External Id: CHEMBL832816
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
Total 134, Current Page 1 of 14
1
2
3
4
5

 Synonyms

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

p-Tolualdehyde
4-Toluylaldehyde
para-Methylbenzaldehyde
para-Tolualdehyde
4-Methyl-Benzaldehyde
p-Formyltoluene
4-Methylbenzaldehyde
p-Tolylaldehyde
p-Toluylaldehyde
para-Toluyl aldehyde
p-Methylbenzaldehyde
4-Tolualdehyde
MFCD00006954
EINECS 203-246-9
p-Methyl benzaldehyde

 p-Tolualdehyde | FAQ

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

Q: What is the boiling point of p-tolualdehyde?
A: Boiling point of p-tolualdehyde is 204-205 ºC.
Q: What is the SMILES notation of p-tolualdehyde?
A: SMILES notation of p-tolualdehyde is Cc1ccc(C=O)cc1.
Q: What is the melting point of p-tolualdehyde?
A: Melting point of p-tolualdehyde is -6 °C.
Q: What is the molecular weight of p-tolualdehyde?
A: Molecular weight of p-tolualdehyde is 120.148.
Q: What is the CAS number of p-tolualdehyde?
A: CAS number of p-tolualdehyde is 104-87-0.
Q: What is the safety information for p-tolualdehyde?
A: Safety information for p-tolualdehyde: S26-S36-S37/39.
Q: What are the upstream materials of p-tolualdehyde?
A: Related upstream materials(CAS) of p-tolualdehyde: 201230-82-2;624-31-7;106-38-7;104-85-8;622-97-9;589-18-4;2929-93-3;23229-29-0;874-60-2.
Q: What is the InChIKey of p-tolualdehyde?
A: InChIKey of p-tolualdehyde is FXLOVSHXALFLKQ-UHFFFAOYSA-N.
Q: What English synonyms does p-tolualdehyde have?
A: English synonyms of p-tolualdehyde: p-Tolualdehyde, 4-Toluylaldehyde, para-Methylbenzaldehyde, para-Tolualdehyde, 4-Methyl-Benzaldehyde, p-Formyltoluene, 4-Methylbenzaldehyde, p-Tolylaldehyde, p-Toluylaldehyde, para-Toluyl aldehyde, p-Methylbenzaldehyde, 4-Tolualdehyde, MFCD00006954, EINECS 203-246-9, p-Methyl benzaldehyde.
Q: What are the uses of p-tolualdehyde?
A: Main uses of p-tolualdehyde: p-Tolualdehyde is an endogenous metabolite.

 p-Tolualdehydefactory

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.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical 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.
Top Suppliers:I want be here




Get all suppliers and price by the below link:

p-Tolualdehyde suppliers

p-Tolualdehyde price