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CAS 111-70-6 1-Heptanol molecular structure lightbox
CAS RN: 111-70-6

1-Heptanol

Product Availability

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7 package records7 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250513 100ml In stock Inquiry
Batchno.20250912 2.5L In stock Inquiry
Batchno.20250525 500ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250418 100ml / 500ml / 2.5L / 10L / 12X500ml Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250422 1ml In stock Inquiry
Batchno.20250902 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251106 5ml In stock Shanghai, Shandong Inquiry
  • Product code: SSC-011897
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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: 500g
  • 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 111-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Shenzhen Inquiry

111-70-6 / heptan-1-ol

1-HEPTANOL | Heptan-1-ol | Heptyl alcohol

Standard CAS: 111-70-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
111-70-6
Multi CAS
Yes
Molecular Formula
C7H16O
Molecular Weight
116.200000
Exact Mass
116.120115
SMILES
CCCCCCCO
InChI
InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey
BBMCTIGTTCKYKF-UHFFFAOYSA-N
Synonyms
1-HEPTANOL Heptan-1-ol Heptyl alcohol Heptanol n-Heptanol

Physical Properties

Melting Point
-29 °F (USCG, 1999) -34.6 °C -34.1 °C -34 °C
Boiling Point
349 °F at 760 mmHg (USCG, 1999) 175.8 °C at 760 mm Hg BP: 155.6 °C at 400 mm Hg; 136.6 °C at 200 mm Hg; 119.5 °C at 100 mm Hg; ... 85.8 °C at 20 mm Hg; 74.7 °C at 10 mm Hg; 64.3 °C at 5 mm Hg; 42.4deg C at 1.0 mm Hg 175.00 to 176.00 °C. @ 760.00 mm Hg 175 °C
Density
0.822 at 68 °F (USCG, 1999) - Less dense than water; will float 0.8219 at 20 °C/4 °C 0.82 g/cm³ Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.01 0.820-1.824
Physical Description
Watery colorless liquid with a weak alcohol odor. Floats on water. (USCG, 1999) Liquid Colorless fragrant liquid; [Hawley] COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. colourless liquid/citrus odour
Appearance
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.84
TPSA
20.23

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
2.7
Consensus LogP
2.12
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.63
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)
-2.04

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
Signal
Warning
GHS Hazard Statements
H319 (94.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H227: Combustible liquid [Warning Flammable liquids] H315: Causes skin irritation [Warning Skin corrosion/irritation] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317 P210, P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, and P501
Hazard Class/Division
6.1
Packing Group
III

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