CAS 2033-89-8 3,4-Dimethoxyphenol (HCID 16251)

Overview

3,4-dimethoxyphenol has been reported in Camellia crassicolumna and Croton lechleri with data available.

Names & identifiers

Preferred name: 3,4-Dimethoxyphenol
IUPAC: 3,4-dimethoxyphenol
English name: 3,4-Dimethoxyphenol
Molecular formula: C8H10O3
Molecular weight: 154.16

Names & synonyms

3,4-DIMETHOXYPHENOLPhenol, 3,4-dimethoxy-3,4-Bis(methyloxy)phenolUNII-38B43WCU8338B43WCU83EINECS 217-995-4NSC 140927NSC-140927DTXSID7062112RefChem:91185DTXCID5036262217-995-4

Show more names

3,4-Dimethoxyphel4-HYDROXYVERATROLE3,4-dimethoxy-pheno3,4-diMethoxyphenoxyl3,4-Dimethoxyphenol >3,4-Dimethoxyphenol,97%

SMFFZOQLHYIRDA-UHFFFAOYSA-N2033-89-8MFCD000083903,4-dimethoxy-phenol3,4-Dimethoxyphenol, 97%AKOS005146109SY017636TS-02054

Database identifiers

CAS: 2033-89-8
PubChem CID: 16251
DTXSID: DTXSID7062112
UNII: 38B43WCU83
EC Number: 217-995-4
Nikkaji: J139.789C

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 116

Physicochemical properties

Melting point: 79 · 79-82 °C (lit.)
Boiling point: 167 °C/14mm · 167°C/14mm
Density: 1.169 · 1.1690 (rough estimate)
refractive index: 1.474 · 1.4740 (estimate)
Flash point: 167 °C/14mm · 167°C/14mm
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 10.08 · 10.08±0.18(Predicted)
form: Fine Crystalline Powder
color: Off-white to light beige
Water Solubility: Soluble in water.
Sensitive: Light Sensitive
BRN: 1366650 · 1366650
InChI: 1S/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3
InChIKey: SMFFZOQLHYIRDA-UHFFFAOYSA-N
SMILES: COc1ccc(O)cc1OC
LogP: 1.157 · 1.157 (est)
CAS DataBase Reference: 2033 · 2033-89-8(CAS DataBase Reference)
FDA UNII: 38 B43WCU83 · 38B43WCU83
NIST Chemistry Reference: 3 · Phenol, 3,4-dimethoxy-(2033-89-8)
EPA Substance Registry System: 3 · 3,4-Dimethoxyphenol (2033-89-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 302 · P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
F: 10 · 10
TSCA: TSCA listed
HS Code: 29095000 · 29095000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29095000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 3,4-dimethoxy-: ACTIVE

Applications · 2 items

Uses3,4-Dimethoxyphenol is used in the preparation of 5,6-dimethoxy benzofuranone derivatives and multi-target anti Alzheimer compounds. It is also used in the preparation of 3,4-dimethoxyphenyl-beta-D-glucopyranoside and 4-(but-2-enyloxy)-1,2-dimethoxybenzene. Further, it serves as a precursor for 4H-chromenes synthesis.

UsesA substituted alkynyl phenoxy compound as new synergists in pesticidal compositions.

Upstream & downstream products

Upstream raw materials

Phenol, 3,4-dimethoxy-, 1-formate 3,4,4-TRIMETHOXY-2,5-CYCLOHEXADIEN-1-ONE 2',4',6'-Trihydroxy-3'-methylbutyrophenone N-(3,4-dimethoxyphenyl)ethanamide 3,4-Dimethoxyphenylboronic acid 4-ALLYL-2,6-DIMETHOXYPHENOL Syringaldehyde 3-METHOXYCATECHOL 5-TERT-BUTYLPYROGALLOL 4-Bromoveratrole Acetosyringone 4-HYDROXY-3-METHOXYPHENYLACETONE

Downstream products

BENZENE,1,2,4-TRIMETHOXY-5-(2-PROPENYL)-4-Aminoveratrole 4-Ethylresorcinol

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Related reactions

70 records

New reaction record

HRID 63269As reactantuspto-grants-2016_09

HRID 98198As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 131796As reactantuspto-grants-2008_06

HRID 237788As reactantuspto-grants-2014_02

HRID 241962As reactantuspto-grants-2014_02

HRID 287138As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 353384As reactantuspto-grants-2004_06

HRID 411142As reactantuspto-grants-2003_05

Compound notes

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Basic information