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: 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
579-75-9 / methyl 2-hydroxybenzoate
Basic Information
CAS
579-75-9
Multi CAS
Yes
Molecular Formula
C8H8O3
Molecular Weight
152.150000
Exact Mass
152.047344
InChI
InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChIKey
OSWPMRLSEDHDFF-UHFFFAOYSA-N
Physical Properties
Melting Point
16.5 °F (NTP, 1992)
-8.6 °C
-8 °C
Boiling Point
432 °F at 760 mmHg (NTP, 1992)
220-224
220-224 °C
222.00 to 224.00 °C. @ 760.00 mm Hg
223 °C
Density
1.174 (USCG, 1999) - Denser than water; will sink
1.184 @ 25 °C/25 °C
DENSITY OF NATURAL ESTER IS ABOUT 1.180
Relative density (water = 1): 1.18
1.176-1.185
Physical Description
Methyl salicylate appears as colorless yellowish or reddish liquid with odor of wintergreen. (USCG, 1999)
Dry Powder; Liquid
Colorless, yellow, or red liquid with a wintergreen odor; [HSDB] Clear slightly yellow-green liquid;
Liquid
COLOURLESS OR YELLOW-TO-RED OILY LIQUID WITH CHARACTERISTIC ODOUR.
Appearance
COLORLESS, YELLOWISH OR REDDISH, OILY LIQ
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.45
TPSA
46.53
LogP / Solubility
WLOGP
1.18
MLOGP
1.03
XLogP3
2.3
Consensus LogP
1.5
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
