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CAS 119138-29-3 4-HYDROXY-2-METHOXYBENZYL ALCOHOL molecular structure lightbox
CAS RN: 119138-29-3

4-HYDROXY-2-METHOXYBENZYL ALCOHOL

  • Product code: SSC-019616
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 119138-29-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

119138-29-3 / 4-(hydroxymethyl)-3-methoxyphenol

4-Hydroxy-2-methoxybenzyl alcohol | DTXSID60396037 | RefChem:293162

Standard CAS: 119138-29-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119138-29-3
Multi CAS
No
Molecular Formula
C8H10O3
Molecular Weight
154.160000
Exact Mass
154.062994
SMILES
COC1=C(C=CC(=C1)O)CO
InChI
InChI=1S/C8H10O3/c1-11-8-4-7(10)3-2-6(8)5-9/h2-4,9-10H,5H2,1H3
InChIKey
IMPDSJJLYGGTPW-UHFFFAOYSA-N
Synonyms
4-Hydroxy-2-methoxybenzyl alcohol DTXSID60396037 RefChem:293162 DTXCID20346896 4-(hydroxymethyl)-3-methoxyphenol

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.58
TPSA
49.69

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
0.7
Consensus LogP
0.79
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
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)
-3.03

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 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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