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CAS 105-86-2 Geranyl Formate molecular structure lightbox
CAS RN: 105-86-2

Geranyl Formate

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250529 100ml In stock Inquiry
Batchno.20250619 25ml In stock Inquiry
Batchno.20251225 500ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251104 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250110 1kg Out of stock Inquiry
Batchno.20250213 25g In stock Shanghai Inquiry
Batchno.20250117 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-006790
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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: ≥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 105-86-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

105-86-2 / [(2E)-3,7-dimethylocta-2,6-dienyl] formate

3,7-dimethylocta-2,6-dienyl formate | DTXSID5047615 | RefChem:272626

Standard CAS: 105-86-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
105-86-2
Multi CAS
Yes
Molecular Formula
C11H18O2
Molecular Weight
182.260000
Exact Mass
182.130680
SMILES
CC(=CCC/C(=C/COC=O)/C)C
InChI
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+
InChIKey
FQMZVFJYMPNUCT-YRNVUSSQSA-N
Synonyms
3,7-dimethylocta-2,6-dienyl formate DTXSID5047615 RefChem:272626 DTXCID3027615 (E)-geranyl formate

Physical Properties

Density
0.906-0.920
Physical Description
colorless to pale yellow liquid/fresh, leafy, rose-like odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.55
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
54.44
TPSA
26.3

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
3.5
Consensus LogP
2.95
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-1.81

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
H317 (77.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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