p-Toluic acid - Melting point standard, high purity , CAS No.99-94-5

Item Number
T119535
Grouped product items
SKUSizeAvailabilityPrice Qty
T119535-2g
2g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$124.90

Basic Description

Synonyms4-Methylbenzoic acid | P-TOLUIC ACID | 99-94-5 | 4-Toluic acid | p-Methylbenzoic acid | Benzoic acid, 4-methyl- | Crithminic acid | p-Toluylic acid | p-Carboxytoluene | para-Toluic acid | 4-Methyl-Benzoic Acid | Toluate | Toluenecarboxylic acid | NSC 2215 | MFCD00002565 | 4-Methyl ben
Specifications & PurityMelting point standard
Shipped InNormal
GradeMelting point standard

Associated Targets(Human)

TPMT Tchem Thiopurine S-methyltransferase (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SMN1 Tchem Survival motor neuron protein (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TMEM97 Tchem Sigma intracellular receptor 2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALDH1A1 Tchem Retinal dehydrogenase 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NFE2L2 Tchem Nuclear factor erythroid 2-related factor 2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TPMT Tchem Thiopurine S-methyltransferase (45 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SIGMAR1 Sigma-1 receptor (3326 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

IUPAC Name 4-methylbenzoic acid
INCHI InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChi Key LPNBBFKOUUSUDB-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)C(=O)O
Isomeric SMILES CC1=CC=C(C=C1)C(=O)O
WGK Germany 1
RTECS XU1575000
PubChem CID 7470
Molecular Weight 136.15
Beilstein 507600
Reaxy-Rn 507600

Certificates

Certificate of Analysis(COA)

Enter Lot Number to search for COA:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeDateItem
L1912143Certificate of AnalysisJul 17, 2023 T119535
L1803083Certificate of AnalysisAug 09, 2022 T119535

Chemical and Physical Properties

Boil Point(°C)274-275°C
Melt Point(°C)180-181°C

Safety and Hazards(GHS)

Pictogram(s) GHS07
Signal Warning
Hazard Statements

H315:Causes skin irritation

H319:Causes serious eye irritation

H335:May cause respiratory irritation

H302:Harmful if swallowed

H317:May cause an allergic skin reaction

Precautionary Statements

P261:Avoid breathing dust/fume/gas/mist/vapors/spray.

P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.

P280:Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352:IF ON SKIN: wash with plenty of water.

P321:Specific treatment (see ... on this label).

P405:Store locked up.

P501:Dispose of contents/container to ...

P264:Wash hands [and …] thoroughly after handling.

P271:Use only outdoors or in a well-ventilated area.

P270:Do not eat, drink or smoke when using this product.

P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P403+P233:Store in a well-ventilated place. Keep container tightly closed.

P272:Contaminated work clothing should not be allowed out of the workplace.

P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.

P362+P364:Take off contaminated clothing and wash it before reuse.

P330:Rinse mouth.

P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes.

P301+P317:IF SWALLOWED: Get medical help.

P337+P317:If eye irritation persists: Get medical help.

P332+P317:If skin irritation occurs: Get medical help.

P319:Get medical help if you feel unwell.

WGK Germany 1
RTECS XU1575000
Reaxy-Rn 507600
Merck Index 9535

Related Documents

Citations of This Product

1. Yingying Liu, Xue Wang, Danyang Zhang, Chen Wang, Haijiao Xie, Hongping Chen, Yunfeng Chai.  (2023)  Does deprotonated benzoic acid lose carbon monoxide in collision-induced dissociation?.  JOURNAL OF MASS SPECTROMETRY,  59  (1): (e4990).  [PMID:38146124] [10.1002/jms.4990]
2. Lu-Dan Yu, Yuan-Jun Tong, Nan Li, Xinying Gong, Shaohan Wang, Pengfei Ye, Guosheng Chen, Jianqiao Xu, Fang Zhu, Gangfeng Ouyang.  (2023)  Carboxylated Covalent Organic Frameworks with Size Adjustment for the Identification of Polychlorinated Biphenyls.  ACS ES&T Water,      [PMID:] [10.1021/acsestwater.3c00460]
3. Zhenyu Li, Enhui Du, Panpan Hao, Liyuan Huai, Yang Zhong, Soliman I. El-Hout, Chunlin Chen, Jian Zhang.  (2023)  Diluted oxygen realizes high productivity of 2,5-Furandicarboxylic acid under ambient temperature.  CATALYSIS TODAY,  423  (114277).  [PMID:] [10.1016/j.cattod.2023.114277]
4. Zhiyue Zhao, Zhiwei Jiang, Yizhe Huang, Mebrouka Boubeche, Valentina G. Matveeva, Hector F. Garces, Huixia Luo, Kai Yan.  (2023)  Facile synthesis of CoSi alloy catalysts with rich vacancies for base- and solvent-free aerobic oxidation of aromatic alcohols.  CHINESE JOURNAL OF CATALYSIS,  48  (175).  [PMID:] [10.1016/S1872-2067(23)64418-3]
5. Jiakai Qiu, Jing Wang, Mingzhu Ren, Xin Yang, Jianbo Zhang, Xiaolong Zhang, Hongbin Cao, Yongbing Xie.  (2023)  Comprehensive effect of water matrix on catalytic ozonation of chloride contained saline wastewater.  WATER RESEARCH,  234  (119827).  [PMID:36889089] [10.1016/j.watres.2023.119827]
6. Xingyu Luo, Fengjiao Li, Fei Peng, Lizhen Huang, Xiaoling Lang, Meiqin Shi.  (2021)  Strategies for Perfect Confinement of POM@MOF and Its Applications in Producing Defect-Rich Electrocatalyst.  ACS Applied Materials & Interfaces,  13  (48): (57803–57813).  [PMID:34797968] [10.1021/acsami.1c17808]
7. Shenglu Lu, Yaxuan Jing, Bo Feng, Yong Guo, Xiaohui Liu, Yanqin Wang.  (2021)  H2-free Plastic Conversion: Converting PET back to BTX by Unlocking Hidden Hydrogen.  ChemSusChem,  14  (19): (4242-4250).  [PMID:33660432] [10.1002/cssc.202100196]
8. Hefei Wang, Dong Wang, Tian Tian, Wei Ren.  (2018)  Removal of Organic Compounds Containing a Benzene Ring from Water by Adsorptive Micellar Flocculation.  JOURNAL OF SURFACTANTS AND DETERGENTS,  22  (1): (161-174).  [PMID:] [10.1002/jsde.12209]
9. Zaiming Chen, Wenjie Ji.  (2019)  Sorption of ionizable organic chemicals to carbonaceous adsorbents: Solution pH change and contributions of different species.  SCIENCE OF THE TOTAL ENVIRONMENT,  647  (1069).  [PMID:30180315] [10.1016/j.scitotenv.2018.08.033]
10. Chen Yang, Qi Li, Yong Wu.  (2017)  Thermodynamic models for determination of solid-liquid equilibrium of the 4-methylbenzoic acid in pure and binary organic solvents.  JOURNAL OF MOLECULAR LIQUIDS,  238  (432).  [PMID:] [10.1016/j.molliq.2017.05.046]

References

1. Yingying Liu, Xue Wang, Danyang Zhang, Chen Wang, Haijiao Xie, Hongping Chen, Yunfeng Chai.  (2023)  Does deprotonated benzoic acid lose carbon monoxide in collision-induced dissociation?.  JOURNAL OF MASS SPECTROMETRY,  59  (1): (e4990).  [PMID:38146124] [10.1002/jms.4990]
2. Lu-Dan Yu, Yuan-Jun Tong, Nan Li, Xinying Gong, Shaohan Wang, Pengfei Ye, Guosheng Chen, Jianqiao Xu, Fang Zhu, Gangfeng Ouyang.  (2023)  Carboxylated Covalent Organic Frameworks with Size Adjustment for the Identification of Polychlorinated Biphenyls.  ACS ES&T Water,      [PMID:] [10.1021/acsestwater.3c00460]
3. Zhenyu Li, Enhui Du, Panpan Hao, Liyuan Huai, Yang Zhong, Soliman I. El-Hout, Chunlin Chen, Jian Zhang.  (2023)  Diluted oxygen realizes high productivity of 2,5-Furandicarboxylic acid under ambient temperature.  CATALYSIS TODAY,  423  (114277).  [PMID:] [10.1016/j.cattod.2023.114277]
4. Zhiyue Zhao, Zhiwei Jiang, Yizhe Huang, Mebrouka Boubeche, Valentina G. Matveeva, Hector F. Garces, Huixia Luo, Kai Yan.  (2023)  Facile synthesis of CoSi alloy catalysts with rich vacancies for base- and solvent-free aerobic oxidation of aromatic alcohols.  CHINESE JOURNAL OF CATALYSIS,  48  (175).  [PMID:] [10.1016/S1872-2067(23)64418-3]
5. Jiakai Qiu, Jing Wang, Mingzhu Ren, Xin Yang, Jianbo Zhang, Xiaolong Zhang, Hongbin Cao, Yongbing Xie.  (2023)  Comprehensive effect of water matrix on catalytic ozonation of chloride contained saline wastewater.  WATER RESEARCH,  234  (119827).  [PMID:36889089] [10.1016/j.watres.2023.119827]
6. Xingyu Luo, Fengjiao Li, Fei Peng, Lizhen Huang, Xiaoling Lang, Meiqin Shi.  (2021)  Strategies for Perfect Confinement of POM@MOF and Its Applications in Producing Defect-Rich Electrocatalyst.  ACS Applied Materials & Interfaces,  13  (48): (57803–57813).  [PMID:34797968] [10.1021/acsami.1c17808]
7. Shenglu Lu, Yaxuan Jing, Bo Feng, Yong Guo, Xiaohui Liu, Yanqin Wang.  (2021)  H2-free Plastic Conversion: Converting PET back to BTX by Unlocking Hidden Hydrogen.  ChemSusChem,  14  (19): (4242-4250).  [PMID:33660432] [10.1002/cssc.202100196]
8. Hefei Wang, Dong Wang, Tian Tian, Wei Ren.  (2018)  Removal of Organic Compounds Containing a Benzene Ring from Water by Adsorptive Micellar Flocculation.  JOURNAL OF SURFACTANTS AND DETERGENTS,  22  (1): (161-174).  [PMID:] [10.1002/jsde.12209]
9. Zaiming Chen, Wenjie Ji.  (2019)  Sorption of ionizable organic chemicals to carbonaceous adsorbents: Solution pH change and contributions of different species.  SCIENCE OF THE TOTAL ENVIRONMENT,  647  (1069).  [PMID:30180315] [10.1016/j.scitotenv.2018.08.033]
10. Chen Yang, Qi Li, Yong Wu.  (2017)  Thermodynamic models for determination of solid-liquid equilibrium of the 4-methylbenzoic acid in pure and binary organic solvents.  JOURNAL OF MOLECULAR LIQUIDS,  238  (432).  [PMID:] [10.1016/j.molliq.2017.05.046]

Solution Calculators