[email protected]
CAS 6789-88-4 Hexyl Benzoate molecular structure lightbox
CAS RN: 6789-88-4

Hexyl Benzoate

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250622 100g In stock Inquiry
Batchno.20250914 100ml In stock Inquiry
Batchno.20251022 1L Out of stock Inquiry
Batchno.20260218 25g In stock Inquiry
Batchno.20250615 25ml In stock Inquiry
Batchno.20250106 500ml In stock Inquiry
  • Product code: SSC-177637
GET A QUOTE
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: 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 6789-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

6789-88-4 / hexyl benzoate

Standard CAS: 6789-88-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6789-88-4
Multi CAS
No
Molecular Formula
C13H18O2
Molecular Weight
206.280000
Exact Mass
206.130680
InChI
InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey
UUGLJVMIFJNVFH-UHFFFAOYSA-N

Physical Properties

Boiling Point
522 °F at 770 mmHg (NTP, 1992) 272 °C AT 770 MM HG 272.00 °C. @ 760.00 mm Hg
Density
0.979 at 70.7 °F (NTP, 1992) - Less dense than water; will float 0.978-0.984
Physical Description
Hexyl benzoate is a clear colorless liquid. (NTP, 1992) Colorless liquid; Insoluble in water; [CAMEO] Colorless or yellow liquid; colourless oily liquid with a woody, green, piney, balsamic odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
60.87
TPSA
26.3

LogP / Solubility

WLOGP
3.42
MLOGP
3.01
XLogP3
4.9
Consensus LogP
3.78
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly 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)
-1.55

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us