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CAS 106-22-9 β-Citronellol molecular structure lightbox
CAS RN: 106-22-9

β-Citronellol

Product Availability

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17 package records16 with current stock6 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250420 100ml In stock Inquiry
Batchno.20251103 1L Out of stock Inquiry
Batchno.20250202 2.5L In stock Inquiry
Batchno.20250629 25ml In stock Inquiry
Batchno.20260303 500ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250425 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260322 1ml In stock Shanghai, Hebei Inquiry
Batchno.20260127 5ml In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250502 100ml In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20250628 10L In stock Shandong Inquiry
Batchno.20250620 2.5L In stock Shanghai, Shandong Inquiry
Batchno.20250711 500ml In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250521 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260610 1kg In stock Shanghai Inquiry
Batchno.20260403 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250822 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250905 1ml In stock Inquiry
  • Product code: SSC-007637
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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: ≥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 106-22-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shenzhen Inquiry

106-22-9 / 3,7-dimethyloct-6-en-1-ol

l-Citronellol | (S)-3,7-dimethyloct-6-en-1-ol | (-)-Citronellol

Standard CAS: 106-22-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
106-22-9
Multi CAS
Yes
Molecular Formula
C10H20O
Molecular Weight
156.260000
Exact Mass
156.151415
SMILES
CC(CCC=C(C)C)CCO
InChI
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
InChIKey
QMVPMAAFGQKVCJ-UHFFFAOYSA-N
Synonyms
l-Citronellol (S)-3,7-dimethyloct-6-en-1-ol (-)-Citronellol (S)-citronellol (S)-(-)-beta-Citronellol

Physical Properties

Boiling Point
224 °C BP: 108-109 °C at 10 mm Hg; specific gravity: 1.4576 at 18/4 °C /(-)-Form/
Density
0.8550 g/cu cm at 20 °C 0.850-0.860
Physical Description
Dry Powder, Liquid, Other Solid; Liquid Colorless to pale yellow liquid with a sweet floral odor; [EPA BRADs] Colorless liquid with a rose-like odor; colourless oily liquid; rose-like aroma
Appearance
Colorless oily liquid
State
Solid

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (99.6%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (65.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H411 (15.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501

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