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CAS 126-90-9 (S)-3,7-dimethyl-1,6-octadien-3-ol molecular structure lightbox
CAS RN: 126-90-9

(S)-3,7-dimethyl-1,6-octadien-3-ol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251115 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-031444
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 126-90-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry

126-90-9 / (3S)-3,7-dimethylocta-1,6-dien-3-ol

Standard CAS: 126-90-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
126-90-9
Multi CAS
No
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
SMILES
CC(=CCC[C@@](C)(C=C)O)C
InChI
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1
InChIKey
CDOSHBSSFJOMGT-SNVBAGLBSA-N

Physical Properties

Boiling Point
187.00 to 199.00 °C. @ 760.00 mm Hg

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.49
TPSA
20.23

LogP / Solubility

WLOGP
2.67
MLOGP
2.34
XLogP3
2.7
Consensus LogP
2.57
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.36
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)
-1.77

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
Signal
Warning
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H315 (80.7%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (19.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (41.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H315: Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501

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