CAS 1131-94-8 3-Hydroxy-4-methoxyphenylacetic Acid molecular structure

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CAS RN: 1131-94-8

3-Hydroxy-4-methoxyphenylacetic Acid

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20260325	1ml	In stock	Inquiry

Product code: SSC-013288

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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

Pack sizes on record: 0.25g, 5g, 100g, 25g, 1g, 10g
Available purity: ≥96%
Inventory rows with stock: 6
Bulk packaging: confirmed by inquiry

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Available Pack Sizes & Stock

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Recorded sizes, purity and stock details for CAS 1131-94-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.25g	≥96%	5 In Stock	Shanghai	Inquiry
5g	≥96%	5 In Stock	Hong Kong	Inquiry
100g	≥96%	5 In Stock	Hong Kong	Inquiry
25g	≥96%	4 In Stock	Hong Kong	Inquiry
1g	≥96%	2 In Stock	Shenzhen	Inquiry
10g	≥96%	2 In Stock	Hong Kong	Inquiry

1131-94-8 / 2-(3-hydroxy-4-methoxyphenyl)acetic acid

Isohomovanillic acid | 4-Methoxy-3-hydroxyphenylacetic acid | Homo-iso-vanillic acid

Standard CAS: 1131-94-8 Multi CAS: Yes

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

1131-94-8

Multi CAS

Yes

Molecular Formula

C9H10O4

Molecular Weight

182.170000

Exact Mass

182.057909

SMILES

COC1=C(C=C(C=C1)CC(=O)O)O

InChI

InChI=1S/C9H10O4/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12)

InChIKey

BWXLCOBSWMQCGP-UHFFFAOYSA-N

Synonyms

Isohomovanillic acid 4-Methoxy-3-hydroxyphenylacetic acid Homo-iso-vanillic acid 3-Hydroxy-4-methoxybenzeneacetic acid CHEBI:70818

Physical Properties

Physical Description

Solid

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.22

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

TPSA

66.76

LogP / Solubility

WLOGP

1.03

MLOGP

0.9

XLogP3

0.6

Consensus LogP

0.84

Log S (ESOL)

-1.76

Class (ESOL)

Soluble

Log S (Ali)

-1.8

Class (Ali)

Soluble

Log S (SILICOS-IT)

-2.06

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.1

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Applications of CAS 1131-94-8

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1131-94-8 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

2-(3-hydroxy-4-methoxyphenyl)acetic acid

Safety Information (GHS)

Pictogram(s): GHS07. Signal word: Warning.

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary statements: P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.