Basic Description

Synonyms	1,5-Dimethyl-3-hydroxybenzene \| 1,3,5-Xylenol \| Tox21_303372 \| 3,5-dimethylphenol-d10 \| 3,5-Xylenol \| 3,5-Dimethylphenol(1,3,5-Xylenol) \| CAS-108-68-9 \| 3,5-Dimethyl phenol \| NCGC00257396-01 \| InChI=1/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H \| 3,5-Xylen-1
Specifications & Purity	≥98%
Storage Temp	Protected from light,Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Cresols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Cresols
Intermediate Tree Nodes	Not available
Direct Parent	Meta cresols
Alternative Parents	m-Xylenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-xylene - Xylene - M-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.
External Descriptors	phenols
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488180618
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180618
IUPAC Name	3,5-dimethylphenol
INCHI	InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
InChIKey	TUAMRELNJMMDMT-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1)O)C
Isomeric SMILES	CC1=CC(=CC(=C1)O)C
WGK Germany	2
RTECS	ZE6475000
UN Number	2261
Packing Group	II
Molecular Weight	122.16
Beilstein	774117
Reaxy-Rn	774117
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774117&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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

15 results found

Lot Number	Certificate Type	Date	Item
J2410673	Certificate of Analysis	Apr 25, 2024	D106360
D2408073	Certificate of Analysis	Aug 28, 2023	D106360
D2408079	Certificate of Analysis	Aug 28, 2023	D106360
H2322024	Certificate of Analysis	Aug 28, 2023	D106360
L1930032	Certificate of Analysis	Jul 13, 2023	D106360
L1911024	Certificate of Analysis	Jul 12, 2023	D106360
C2306554	Certificate of Analysis	Mar 15, 2023	D106360
B2307135	Certificate of Analysis	Feb 17, 2023	D106360
L2016046	Certificate of Analysis	Oct 17, 2022	D106360
I2219396	Certificate of Analysis	Sep 21, 2022	D106360
H1822003	Certificate of Analysis	Apr 26, 2022	D106360
C2030014	Certificate of Analysis	Feb 22, 2022	D106360
L2117299	Certificate of Analysis	Dec 29, 2021	D106360
L2117300	Certificate of Analysis	Dec 29, 2021	D106360
B2307242	Certificate of Analysis	Dec 29, 2021	D106360

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Chemical and Physical Properties

Solubility	Slightly soluble in water, soluble in alcohol.
Sensitivity	Air & Light Sensitive
Flash Point(°F)	109 °C
Flash Point(°C)	109°C
Boil Point(°C)	222°C
Melt Point(°C)	64°C
Molecular Weight	122.160 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	122.073 Da
Monoisotopic Mass	122.073 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	80.600
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jinxin Li, Dan Zhong, Feiyu Li, Kefei Li, Wencheng Ma, Jun Ma, Jingna Zhang, Aoshuang Sun. (2023) Efficient mineralization of coal pyrolysis wastewater in a heterogeneous electro-Fenton system using a novel Fe3O4-LaFeO3/C/GF heterojunction cathode. SEPARATION AND PURIFICATION TECHNOLOGY, 319 (124046).
2. Jinxin Li, Dan Zhong, Yiru Chen, Kefei Li, Wencheng Ma, Shaobo Zhang, Jingna Zhang, Aoshuang Sun, Haijiao Xie. (2023) Copper-based Ruddlesden-Popper perovskite oxides activated hydrogen peroxide for coal pyrolysis wastewater (CPW) degradation: Performance and mechanism. ENVIRONMENTAL RESEARCH, 216 (114591).
3. Nawei Zhang, Yu Gao, Gang Fan, Wu Zhong, Xuanxuan Chen, Xiao Guo, Jeanett Hansen, Bodil Jørgensen, Erhu Li. (2022) Combined high-throughput and fractionation approaches reveal changes of polysaccharides in blueberry skin cell walls during fermentation for wine production. FOOD RESEARCH INTERNATIONAL, 162 (112027).
4. Ruichun Du, Qi Jin, Tangsong Zhu, Changxian Wang, Sheng Li, Yanzhen Li, Xinxin Huang, Ying Jiang, Wenlong Li, Tianwei Bao, Pengfei Cao, Lijia Pan, Xiaodong Chen, Qiuhong Zhang, Xudong Jia. (2022) Sliding Cyclodextrin Molecules along Polymer Chains to Enhance the Stretchability of Conductive Composites. Small, 18 (19): (2200533).
5. Yang Shi, Guangya Yu, Xunqiu Wang. (2022) Experimental determination and thermodynamic modeling of solid-liquid equilibrium of 2,6-dimethylphenol, 3,5-dimethylphenol and 2,5-dimethylphenol binary and ternary systems. THERMOCHIMICA ACTA, 710 (179174).
6. Jing Zhou, Xingang Li, Jinze Du, Lin He, Chengyang Wang, Hong Sui. (2021) Conversion of phenolic mixture to refractory resins: A resourcezation strategy for phenolic distillation residues. JOURNAL OF HAZARDOUS MATERIALS, 414 (125357).
7. Wenxue Xu, Yufeng Hu, Minghuo Wu, Enming Miao, Hao Zhou, Xuwang Zhang, Jingjing Zhan. (2021) Determination of phenolic compounds in estuary water and sediment by solid-phase isotope dansylation coupled with liquid chromatography-high resolution mass spectrometry. Analytical Methods, 13 (11): (1404-1411).
8. Li-Xia Zhao, Mao-Jun Jiang, Jia-Jun Hu, Yue-Li Zou, Shuang Gao, Ying Fu, Fei Ye. (2020) Herbicidal activity and molecular docking study of novel PPO inhibitors. WEED SCIENCE, 68 (6): (565-574).
9. Zhang Yuhui, Lin Ligang, Wang Qi, Qiang Rongrong, Gao Yixin, Ma Sisi, Cheng Qi, Zhang Yuzhong. (2020) Polyrotaxane crosslinked modified EC/PVDF composite membrane displaying simultaneously enhanced pervaporation performance and solvent resistance for benzene/cyclohexane separation. JOURNAL OF MATERIALS SCIENCE, 55 (19): (8403-8419).
10. Sisi Ma, Ligang Lin, Qi Wang, Yuhui Zhang, Honglei Zhang, Yixin Gao, Lin Xu, Fusheng Pan, Yuzhong Zhang. (2019) Bioinspired EVAL membrane modified with cilia-like structures showing simultaneously enhanced permeability and antifouling properties. COLLOIDS AND SURFACES B-BIOINTERFACES, 181 (134).
11. Cheng-bin Gong, Yu-bo Wei, Mei-jun Chen, Lan-tao Liu, Cheuk-fai Chow, Qian Tang. (2018) Double imprinted photoresponsive polymer for simultaneous detection of phthalate esters in plastics. EUROPEAN POLYMER JOURNAL, 108 (295).
12. Yuanfang Hu, Bingxi Wang, Xiao Li, Dongyang Chen, Weiying Zhang. (2018) Densely quaternized poly(arylene ether)s with distinct phase separation for highly anion-conductive membranes. JOURNAL OF POWER SOURCES, 387 (33).
13. Xiaohong Yang, Changxia Li, Meiling Qi, Liangti Qu. (2016) Graphene-ZIF8 composite material as stationary phase for high-resolution gas chromatographic separations of aliphatic and aromatic isomers. JOURNAL OF CHROMATOGRAPHY A, 1460 (173).
14. Zhongbin Pan, Yu Cheng, Zhicheng Li, Pang Xi, Peng Wang, Xu Fan, Hanxi Chen, Jinjun Liu, Junfei Luo, Jinhong Yu, Minhao Yang, Jiwei Zhai, Weiping Li. (2025) Aluminum Macrocycles Induced Superior High-temperature Capacitive Energy Storage for Polymer-based Dielectrics via Constructing Charge Trap Rings. Energy & Environmental Science,

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SKU	Size	Availability	Price
D106360-25g	25g	4	$28.90
D106360-100g	100g	4	$102.90
D106360-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$461.90

3,5-Dimethylphenol Standard - 98%, high purity , CAS No.108-68-9