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CAS 104-76-7 2-Ethyl-1-hexanol molecular structure lightbox
CAS RN: 104-76-7

2-Ethyl-1-hexanol

Product Availability

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8 package records8 with current stock6 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260513 500ml / 2.5L / 10L Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260324 100ml In stock Inquiry
Batchno.20260404 2.5L In stock Inquiry
Batchno.20251129 500ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250926 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260217 500ml / 2.5L / 10L / 12X500ml Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250604 5ml In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250622 5ml In stock Inquiry
  • Product code: SSC-005748
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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: ≥95%
  • 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 104-76-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
500ml ≥95% 0 Out of Stock Shenzhen Inquiry

104-76-7 / 2-ethylhexan-1-ol

2-Ethylhexan-1-ol | 2-Ethylhexanol | 2-ETHYL-1-HEXANOL

Standard CAS: 104-76-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
104-76-7
Multi CAS
Yes
Molecular Formula
C8H18O
Molecular Weight
130.230000
Exact Mass
130.135765
SMILES
CCCCC(CC)CO
InChI
InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
InChIKey
YIWUKEYIRIRTPP-UHFFFAOYSA-N
Synonyms
2-Ethylhexan-1-ol 2-Ethylhexanol 2-ETHYL-1-HEXANOL 2-Ethylhexyl alcohol 1-Hexanol, 2-ethyl-

Physical Properties

Melting Point
-105 °F (NTP, 1992) -70 °C -76.00 °C. @ 760.00 mm Hg -105 °F
Boiling Point
363 to 365 °F at 760 mmHg (NTP, 1992) 184.34 °C 184.00 to 186.00 °C. @ 760.00 mm Hg 182 °C 363-365 °F
Density
0.834 at 68 °F (USCG, 1999) - Less dense than water; will float 0.8344 at 20 °C/20 °C Bulk density: 6.9 lb/gal at 20 °C % IN SATURATED AIR: 0.0066 @ 20 °C; DENSITY OF "SATURATED" AIR: LESS THAN 1.001 (AIR= 1) Relative density (water = 1): 0.83
Physical Description
2-ethyl hexanol appears as a dark brown liquid with an aromatic odor. Insoluble in water and less dense than water. Flash point between 140 - 175 °F. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Liquid; Water or Solvent Wet Solid Colorless liquid; [Merck Index] COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. colourless to pale yellow liquid
Appearance
Colorless liquid
State
Solid
Storage Conditions
Separated from strong oxidants and strong bases. Store in an area without drain or sewer access. Ventilation along the floor.

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.39
TPSA
20.23

LogP / Solubility

WLOGP
2.2
MLOGP
1.92
XLogP3
3.1
Consensus LogP
2.41
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant Health Hazard Corrosive
Signal
Warning Danger
GHS Hazard Statements
H315 (88.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (71.2%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (72.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P273, and P501 P203, P210, P260, P261, P264, P264+P265, P270, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P308+P316, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 P203, P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 P203, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P363, P405, and P501

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