Cas no 121474-53-1 (p-Cresol-(methyl-13C))
p-Cresol-(methyl-13C) is a highly specialized isotopically labeled organic compound. It offers the advantage of enhanced detection in NMR spectroscopy due to the incorporation of the stable isotope carbon-13, which provides a distinct signal. This compound is particularly valuable for structural elucidation and quantification in complex mixtures, making it an essential tool for analytical chemists and researchers in various fields.
p-Cresol-(methyl-13C) structure
Product Name:p-Cresol-(methyl-13C)
CAS No:121474-53-1
MF:C7H8O
MW:109.130476951599
CID:104733
PubChem ID:16213360
Update Time:2025-10-15
p-Cresol-(methyl-13C) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-(methyl-13C)-(9CI)
- 4-methylphenol
- 4-methyl-13c-phenol
- P-CRESOL-METHYL-13C
- p-cresol-13c1(methyl-13c)
- P-CRESOL-METHYL-13C, 99 ATOM % 13C
- p-Cresol-(methyl-13C), 99 atom % 13C
- DTXSID50583898
- 121474-53-1
- 4-(~13~C)Methylphenol
- p-Cresol-(methyl-13C)
- 4-(113C)methylphenol
-
- Inchi： 1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3/i1+1
- InChI Key： IWDCLRJOBJJRNH-OUBTZVSYSA-N
- SMILES： OC1C=CC([13CH3])=CC=1
Computed Properties
- Exact Mass: 109.060869710g/mol
- Monoisotopic Mass: 109.060869710g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 62.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Color/Form: Not determined
- Density: 1.043?g/mL?at 25?°C
- Melting Point: 32-34?°C(lit.)
- Boiling Point: 202?°C(lit.)
- Flash Point: 193?°F
- Solubility: Not determined
- Vapor Pressure: Not available
p-Cresol-(methyl-13C) Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Hazardous Material transportation number：UN 3455 6.1/PG 2
- WGK Germany：3
- Hazard Category Code： 23/24/25-34
- Safety Instruction： 23-26-36/37/39-45
-
Hazardous Material Identification：
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
p-Cresol-(methyl-13C) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C781904-5mg |
p-Cresol-(methyl-13C) |
121474-53-1 | 5mg |
$115.00 | 2023-05-18 | ||
| TRC | C781904-10mg |
p-Cresol-(methyl-13C) |
121474-53-1 | 10mg |
$207.00 | 2023-05-18 | ||
| TRC | C781904-25mg |
p-Cresol-(methyl-13C) |
121474-53-1 | 25mg |
$460.00 | 2023-05-18 | ||
| TRC | C781904-50mg |
p-Cresol-(methyl-13C) |
121474-53-1 | 50mg |
$ 800.00 | 2023-09-08 |
p-Cresol-(methyl-13C) Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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