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CAS 7540-51-4 (-)-β-Citronellol molecular structure lightbox
CAS RN: 7540-51-4

(-)-β-Citronellol

Product Availability

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7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250317 100ml In stock Inquiry
Batchno.20250118 1ml In stock Inquiry
Batchno.20250320 25ml In stock Inquiry
Batchno.20260419 500ml In stock Inquiry
Batchno.20250513 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251004 5ml / 25ml / 100ml / 500ml Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250807 5ml In stock Shanghai Inquiry
  • Product code: SSC-184852
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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: 100g
  • Available purity: >98%
  • 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 7540-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >98% 0 Out of Stock Hong Kong Inquiry

7540-51-4 / (3S)-3,7-dimethyloct-6-en-1-ol

Standard CAS: 7540-51-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7540-51-4
Multi CAS
Yes
Molecular Formula
C10H20O
Molecular Weight
156.260000
Exact Mass
156.151415
InChI
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1
InChIKey
QMVPMAAFGQKVCJ-JTQLQIEISA-N

Physical Properties

Boiling Point
225.00 °C. @ 760.00 mm Hg

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.53
TPSA
20.23

LogP / Solubility

WLOGP
2.75
MLOGP
2.42
XLogP3
3.2
Consensus LogP
2.79
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-1.72

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
2

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