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CAS 112-40-3 Dodecane [Standard Material for GC] molecular structure lightbox
CAS RN: 112-40-3

Dodecane [Standard Material for GC]

Product Availability

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19 package records19 with current stock8 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260210 25ml / 100ml / 250ml / 500ml / 2.5L / 12X500ml Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260530 100ml In stock Inquiry
Batchno.20260610 2.5L In stock Inquiry
Batchno.20250830 25ml In stock Inquiry
Batchno.20250708 500ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250401 1kg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250622 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250318 500g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260616 100ml / 250ml / 500ml / 2.5L / 12X500ml Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251101 100ml In stock Shanghai, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250215 1L In stock Shandong Inquiry
Batchno.20250503 500ml In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251017 100ml In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250801 1L In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260415 500ml In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 25ml In stock Inquiry
Batchno.20250914 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250612 5ml In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: SSC-012485
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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: 500ml
  • Available purity: ＞97%
  • 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 112-40-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
500ml ＞97% 0 Out of Stock Beijing Inquiry

112-40-3 / dodecane

DODECANE | n-Dodecane | Dihexyl

Standard CAS: 112-40-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
112-40-3
Multi CAS
No
Molecular Formula
C12H26
Molecular Weight
170.330000
Exact Mass
170.203451
SMILES
CCCCCCCCCCCC
InChI
InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey
SNRUBQQJIBEYMU-UHFFFAOYSA-N
Synonyms
DODECANE n-Dodecane Dihexyl Bihexyl Adakane 12

Physical Properties

Melting Point
14.7 °F (NTP, 1992) -9.55 °C Heat of fusion: 36.8 kJ/mol at melting point -9.6 °C
Boiling Point
421.3 °F at 760 mmHg (NTP, 1992) 216.3 °C 215.00 to 217.00 °C. @ 760.00 mm Hg
Density
0.7487 at 68 °F (NTP, 1992) - Less dense than water; will float 0.7495 g/cu cm at 20 °C
Physical Description
N-dodecane is a clear colorless liquid. (NTP, 1992) Liquid Colorless liquid; [CAMEO]
Appearance
Colorless liquid
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992) Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Handle and store under inert gas. Hygroscopic.

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
9
Molar refractivity
57.52
TPSA
0.0000

LogP / Solubility

WLOGP
4.93
MLOGP
4.33
XLogP3
6.1
Consensus LogP
5.12
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
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)
-0.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard Flammable Environmental Hazard
Signal
Danger
GHS Hazard Statements
H304 (57.2%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] H319 (43.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H226 (95.7%): Flammable liquid and vapor [Warning Flammable liquids] H304 (95.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] H410 (12.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P280, P301+P316, P305+P351+P338, P331, P337+P317, P405, and P501 P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, and P501 P210, P280, P301+P316, P331, P370+P378, P403, P405, and P501

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