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

3-Hydroxy-4-methoxyphenylacetic Acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
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

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

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
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46
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
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
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

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