[email protected]
CAS 68917-75-9 Wintergreen Oil molecular structure lightbox
CAS RN: 68917-75-9

Wintergreen Oil

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260306 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260205 1kg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250204 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250212 500g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS68917-75-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

68917-75-9 / methyl 2-hydroxybenzoate

Standard CAS: 68917-75-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
68917-75-9
Multi CAS
No
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

Customers Also Viewed

Get In Touch

Contact Us