CAS RN: 112-70-9
1-Tridecanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250201 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Hebei, Chongqing, Guangdong | Inquiry |
- Product code: SSC-012504
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: 5g, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
112-70-9 / tridecan-1-ol
1-TRIDECANOL | Tridecan-1-ol | Tridecyl alcohol
Basic Information
CAS
112-70-9
Multi CAS
No
Molecular Formula
C13H28O
Molecular Weight
200.360000
Exact Mass
200.214016
SMILES
CCCCCCCCCCCCCO
InChI
InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3
InChIKey
XFRVVPUIAFSTFO-UHFFFAOYSA-N
Synonyms
1-TRIDECANOL
Tridecan-1-ol
Tridecyl alcohol
n-Tridecan-1-ol
n-Tridecyl alcohol
Physical Properties
Melting Point
32.5 °C
Heat Fusion at Melting point = 4.5120X10+7 J/kmol (for the beta form)
32.00 to 33.00 °C. @ 760.00 mm Hg
30-32 °C
Boiling Point
525 °F at 760 mmHg (USCG, 1999)
152 °C at 14 mm Hg
155.00 to 156.00 °C. @ 15.00 mm Hg
274 °C
Density
0.846 at 68 °F (USCG, 1999) - Less dense than water; will float
VAPOR DENSITY: 6.9 (AIR= 1) /COMMERCIAL MIXTURE/
0.8223 at 31 °C/4 °C
Relative density (water = 1): 0.8
Physical Description
Tridecanol is an oily liquid; colorless; mild, pleasant odor. Floats on water. (USCG, 1999)
Liquid
Colorless liquid or solid; [ICSC] White solid;
Colorless liquid with a pleasant odor; [HSDB]
Solid
Appearance
WATER WHITE LIQ
Crystals from alcohol
State
Solid
Storage Conditions
Separated from strong reducing agents. Store only in original container. Do NOT store or transport in containers made from aluminium. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.55
TPSA
20.23
LogP / Solubility
WLOGP
4.29
MLOGP
3.77
XLogP3
5.7
Consensus LogP
4.59
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Environmental Hazard
Signal
Danger
Warning
GHS Hazard Statements
H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (19.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (12.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H400 (72.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (64.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364, P391, and P501
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501
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