CAS RN: 15356-70-4
MENTHOL
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260420 | 1ml | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: starshine_CAS15356-70-4
- Purity/Analytical Methods: >99.0%
15356-70-4 / 5-methyl-2-propan-2-ylcyclohexan-1-ol
Basic Information
CAS
15356-70-4
Multi CAS
No
Molecular Formula
C10H20O
Molecular Weight
156.260000
Exact Mass
156.151415
SMILES
CC1CCC(C(C1)O)C(C)C
InChI
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
InChIKey
NOOLISFMXDJSKH-UHFFFAOYSA-N
Physical Properties
Melting Point
100 °F (NTP, 1992)
-8 °C
MP: 43 °C /L-Menthol 2216-51-5/; MP 38 °C /DL-Menthol 89-78-1/
Boiling Point
421 °F at 760 mmHg (NTP, 1992)
214.6 °C
BP: 216.5 /menthol/; BP: 218.6 /isomenthol/; BP: 211.7 /neomenthol/; BP: 214.6 /isoneomenthol/
214.00 to 216.00 °C. @ 760.00 mm Hg
Density
0.904 at 59 °F (NTP, 1992) - Less dense than water; will float
0.9131 at 18 °C
0.901 (20°); 0.891 (30°)
Physical Description
D,l-menthol is a white crystalline solid with a peppermint odor and taste. (NTP, 1992)
Liquid
Pellets or Large Crystals; Other Solid; Liquid
White solid with a cooling odor; [Hawley] Colorless solid with a peppermint odor; [HSDB] Colorless solid with a sweet odor;
colourless, hexagonal crystals, usually needle-like; fused masses or crystalline powder with a pleasant, peppermint-like odour
Appearance
White crystals /89-78-1/
Crystals or granules /dl-Menthol/
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this chemical under ambient conditions and keep it away from oxidizing materials. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.35
TPSA
20.23
LogP / Solubility
WLOGP
2.44
MLOGP
2.14
XLogP3
3
Consensus LogP
2.53
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Corrosive
Signal
Warning
Danger
GHS Hazard Statements
H315 (97.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (82.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
P264, P280, P302+P352, P321, P332+P317, and P362+P364
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
