3,4-dimethylphenoxyacetic acid

Modify Date: 2025-09-07 18:05:24

3,4-dimethylphenoxyacetic acid Structure
3,4-dimethylphenoxyacetic acid structure
Common Name 3,4-dimethylphenoxyacetic acid
CAS Number 13335-73-4 Molecular Weight 180.20000
Density 1.146 g/cm3 Boiling Point 323.5ºC at 760 mmHg
Molecular Formula C10H12O3 Melting Point 164-166°C
MSDS N/A Flash Point 128.2ºC

 Names

Name 2-(3,4-dimethylphenoxy)acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.146 g/cm3
Boiling Point 323.5ºC at 760 mmHg
Melting Point 164-166°C
Molecular Formula C10H12O3
Molecular Weight 180.20000
Flash Point 128.2ºC
Exact Mass 180.07900
PSA 46.53000
LogP 1.76680
Vapour Pressure 0.000107mmHg at 25°C
Index of Refraction 1.533
InChIKey GIEQJKZWTIFEJM-UHFFFAOYSA-N
SMILES Cc1ccc(OCC(=O)O)cc1C

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S37
HS Code 2918990090

 Synthetic Route

~89%

3,4-dimethylphenoxyacetic acid Structure

3,4-dimethylphe...

CAS#:13335-73-4

Literature: ACTELION PHARMACEUTICALS LTD Patent: WO2008/78291 A1, 2008 ; Location in patent: Page/Page column 57-58 ; WO 2008/078291 A1

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3,4-dimethylphenoxyacetic acid Structure

3,4-dimethylphe...

CAS#:13335-73-4

Literature: Journal of Medicinal Chemistry, , vol. 27, # 8 p. 967 - 978

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3,4-dimethylphenoxyacetic acid Structure

3,4-dimethylphe...

CAS#:13335-73-4

Literature: Angewandte Chemie, , vol. 41, p. 1046 Fresenius' Zeitschrift fuer Analytische Chemie, , vol. 75, p. 290

 Customs

HS Code 2918990090
Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 3,4-dimethylphenoxyacetic acidBioassay

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Name: Solubility ratio ([HbS+drug (40 mM)]/[HbS-drug])
Source: ChEMBL
Target: N/A
External Id: CHEMBL634599
Name: Solubility ratio ([HbS+drug (5 mM)]/[HbS-drug])
Source: ChEMBL
Target: N/A
External Id: CHEMBL634600
Name: Solubility of Deoxyhemoglobin S (dHbS) concentration after addition dithionite as con...
Source: ChEMBL
Target: N/A
External Id: CHEMBL638278
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: Solubility of Haemoglobin S (HbS) concentration after addition of acid and dithionite
Source: ChEMBL
Target: N/A
External Id: CHEMBL638280
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: Solubility ratio ([HbS+drug (10 mM)]/[HbS-drug])
Source: ChEMBL
Target: N/A
External Id: CHEMBL633104
Name: Solubility ratio ([HbS+drug (20 mM)]/[HbS-drug]
Source: ChEMBL
Target: N/A
External Id: CHEMBL633105
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 Synonyms

MFCD00017595
3,4-DIMETHYLPHENOXYACETIC ACID
3,4-Xylyloxyacetic acid
asymm.-o-Xylenoxyessigsaeure
EINECS 236-386-4
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