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D104347-5g

In stock

$9.90

D104347-25g

25g

In stock

$16.90

D104347-100g

100g

In stock

$58.90

D104347-500g

500g

Available within 4-8 weeks(?)

$261.90

Basic Description

Synonyms	3,4-DIMETHYLPHENOL\|95-65-8\|3,4-Xylenol\|4,5-Dimethylphenol\|Phenol, 3,4-dimethyl-\|1,3,4-Xylenol\|3,4-Dimethyl phenol\|1-Hydroxy-3,4-dimethylbenzene\|4-Hydroxy-1,2-dimethylbenzene\|3,4-DMP\|3,4-dimethyl-phenol\|FEMA No. 3596\|NSC 1549\|4-Hydroxy-o-xylene\|1,2-Dimethy
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice
Product Description	Applications of 3,4-dimethylphenol: It can react with ethyl cinnamates in trifluoroacetic acid to form the corresponding dihydrocoumarin derivatives. Bromination of 3,4-dimethylphenol using bromine can lead to 6-bromo-3,4-dimethylphenol. It can react with 1-fluoro-4-chloromethyl-1,4-diazoniabicyclo2.2.2octane bis(tetrafluoro-borate) to form 4-fluoro-3,4-dimethylcyclohexa-2,5-dienone.

Associated Targets

AR Tclin Androgen receptor 0 Activities

Discover Target: AR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NFE2L2 Tchem Nuclear factor erythroid 2-related factor 2 0 Activities

Discover Target: NFE2L2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	3,4-dimethylphenol
INCHI	InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
InChi Key	YCOXTKKNXUZSKD-UHFFFAOYSA-N
Canonical SMILES	CC1=C(C=C(C=C1)O)C
Isomeric SMILES	CC1=C(C=C(C=C1)O)C
WGK Germany	3
RTECS	ZE6300000
PubChem CID	7249
UN Number	2261
Packing Group	II
Molecular Weight	122.16
Beilstein	1099267

Certificates

Certificate of Analysis(COA)

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To view the certificate results,please click on a Lot number.For Lot numbers from past orders,please use our order status section

4 results found

Lot Number	Certificate Type	Date	Item
G2106119	Certificate of Analysis	Apr 13, 2023	D104347
G2106120	Certificate of Analysis	Apr 13, 2023	D104347
G2106121	Certificate of Analysis	Apr 13, 2023	D104347
G2106128	Certificate of Analysis	Apr 13, 2023	D104347

Chemical and Physical Properties

Solubility	Slightly soluble in water. Less than 1 mg/mL at 68° F.
Sensitivity	Light sensitive.
Flash Point(°F)	110℃
Flash Point(°C)	110℃
Boil Point(°C)	219.5°C
Melt Point(°C)	62.5°C

Safety and Hazards(GHS)

Pictogram(s)	GHS06, GHS09, GHS05, GHS07
Signal	Danger
Hazard Statements	H301:Toxic if swallowed H311:Toxic in contact with skin H411:Toxic to aquatic life with long lasting effects H314:Causes severe skin burns and eye damage H318:Causes serious eye damage H317:May cause an allergic skin reaction
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P273:Avoid release to the environment. 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. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P270:Do not eat, drink or smoke when using this product. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P363:Wash contaminated clothing before reuse. 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. P391:Collect spillage. P330:Rinse mouth. P361+P364:Take off immediately all contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P316:IF SWALLOWED: Get emergency medical help immediately. P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P317:Get emergency medical help. P302+P361+P354:IF ON SKIN: Take off Immediately all contaminated clothing. Immediately rinse with water for several minutes. P316:Get emergency medical help immediately.
WGK Germany	3
RTECS	ZE6300000
Class	6.1
Merck Index	10082

References

1. L C Ng,C L Poh,V Shingler. (1995-03-01) Aromatic effector activation of the NtrC-like transcriptional regulator PhhR limits the catabolic potential of the (methyl)phenol degradative pathway it controls.. Journal of bacteriology, 177 ((6)): (1485-1490). [PMID:7883704]
2. H Pavel,M Forsman,V Shingler. (1994-12-01) An aromatic effector specificity mutant of the transcriptional regulator DmpR overcomes the growth constraints of Pseudomonas sp. strain CF600 on para-substituted methylphenols.. Journal of bacteriology, 176 ((24)): (7550-7557). [PMID:8002579]
3. G Baggi,S Bernasconi,M Zangrossi. (1996-04-01) Initial steps in the degradation of 3,4-dimethylbenzoic acid by Pseudomonas putida strain DMB.. FEMS microbiology letters, 137 ((2-3)): (129-134). [PMID:8998974]
4. A P Hart,A Dasgupta. (1997-07-01) A novel derivatization of phenol after extraction from human serum using perfluorooctanoyl chloride for gas chromatography-mass spectrometric confirmation and quantification.. Journal of forensic sciences, 42 ((4)): (693-696). [PMID:9243834]
5. A Dasgupta,G Steinagel. (1997-07-01) Gas chromatographic-mass spectrometric identification and quantitation of benzyl alcohol from human serum and postmortem blood after derivatization with 4-carbethoxy hexafluorobutyryl chloride: a novel derivative.. Journal of forensic sciences, 42 ((4)): (697-700). [PMID:9243835]
6. L Puig-Grajales,O Rodríguez-Nava,E Razo-Flores. (2003-12-03) Simultaneous biodegradation of a phenol and 3,4-dimethylphenol mixture under denitrifying conditions.. Water science and technology : a journal of the International Association on Water Pollution Research, 48 ((6)): (171-178). [PMID:14640215]
7. Giulia Caron,Giuseppe Ermondi. (2005-04-29) Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).. Journal of medicinal chemistry, 48 ((9)): (3269-3279). [PMID:15857133]
8. Giorgio Ottaviani,Sophie Martel,Pierre-Alain Carrupt. (2007-02-16) In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities.. Journal of medicinal chemistry, 50 ((4)): (742-748). [PMID:17300161]
9. Bram Baert,Eric Deconinck,Mireille Van Gele,Marian Slodicka,Paul Stoppie,Samuel Bodé,Guido Slegers,Yvan Vander Heyden,Jo Lambert,Johan Beetens,Bart De Spiegeleer. (2007-09-11) Transdermal penetration behaviour of drugs: CART-clustering, QSPR and selection of model compounds.. Bioorganic & medicinal chemistry, 15 ((22)): (6943-6955). [PMID:17827020]
10. Maria Concetta Tomei,Maria Cristina Annesini. (2008-05-28) Biodegradation of phenolic mixtures in a sequencing batch reactor. A kinetic study.. Environmental science and pollution research international, 15 ((3)): (188-195). [PMID:18504836]
11. A E Holliday,N J Holliday,T M Mattingly,K M Naccarato. (2012-03-07) Defensive secretions of the carabid beetle Chlaenius cordicollis: chemical components and their geographic patterns of variation.. Journal of chemical ecology, 38 ((3)): (278-286). [PMID:22392083]
12. Yue Qi Ye,Jun-ichi Onose,Naoki Abe,Hiroyuki Koshino,Shunya Takahashi. (2012-03-14) Design and synthesis of a vialinin A analog with a potent inhibitory activity of TNF-α production and its transformation into a couple of bioprobes.. Bioorganic & medicinal chemistry letters, 22 ((7)): (2385-2387). [PMID:22410084]
13. Silvia Pérez-Magariño,Leticia Martínez-Lapuente,Marta Bueno-Herrera,Miriam Ortega-Heras,Zenaida Guadalupe,Belén Ayestarán. (2015-06-02) Use of Commercial Dry Yeast Products Rich in Mannoproteins for White and Rosé Sparkling Wine Elaboration.. Journal of agricultural and food chemistry, 63 ((23)): (5670-5681). [PMID:26027899]
14. V Shingler,J Powlowski,U Marklund. (1992-02-01) Nucleotide sequence and functional analysis of the complete phenol/3,4-dimethylphenol catabolic pathway of Pseudomonas sp. strain CF600.. Journal of bacteriology, 174 ((3)): (711-724). [PMID:1732207]
15. M Bartilson,I Nordlund,V Shingler. (1990-01-01) Location and organization of the dimethylphenol catabolic genes of Pseudomonas CF600.. Molecular & general genetics : MGG, 220 ((2)): (294-300). [PMID:2325624]

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3,4-Dimethylphenol - 98%, high purity , CAS No.95-65-8

Basic Description

Associated Targets

AR Tclin Androgen receptor 0 Activities

NFE2L2 Tchem Nuclear factor erythroid 2-related factor 2 0 Activities

Names and Identifiers

Certificates

Certificate of Analysis(COA)

Chemical and Physical Properties

Safety and Hazards(GHS)

Related Documents

References

Solution Calculators

Molarity Calculator

Dilution Calculator

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