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CAS 97-89-2 CITRONELLYL ISOBUTYRATE molecular structure lightbox
CAS RN: 97-89-2

CITRONELLYL ISOBUTYRATE

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250309 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260623 100g In stock Inquiry
Batchno.20260213 25g In stock Inquiry
Batchno.20260519 500g In stock Inquiry
Batchno.20250416 5g In stock Inquiry
  • Product code: SSC-212181
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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: 25g
  • 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 97-89-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

97-89-2 / 3,7-dimethyloct-6-enyl 2-methylpropanoate

Standard CAS: 97-89-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
97-89-2
Multi CAS
No
Molecular Formula
C14H26O2
Molecular Weight
226.350000
Exact Mass
226.193280
InChI
InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3
InChIKey
ZGPPERKMXSGYRK-UHFFFAOYSA-N

Physical Properties

Boiling Point
249.00 °C. @ 760.00 mm Hg
Density
0.870-0.880
Physical Description
colourless liquid/rosy-fruity odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.79
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
68.24
TPSA
26.3

LogP / Solubility

WLOGP
3.96
MLOGP
3.49
XLogP3
4.8
Consensus LogP
4.08
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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)
-1.29

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
2

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