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CAS 682-09-7 2,2-Bis(allyloxymethyl)-1-butanol (contains Mono- and Tri-substituted Product) molecular structure lightbox
CAS RN: 682-09-7

2,2-Bis(allyloxymethyl)-1-butanol (contains Mono- and Tri-substituted Product)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250723 100g In stock Inquiry
Batchno.20251215 2.5kg In stock Inquiry
Batchno.20260225 25g In stock Inquiry
Batchno.20260521 500g In stock Inquiry
  • Product code: SSC-177916
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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: 1000g
  • 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 682-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1000g ≥95% 0 Out of Stock Beijing Inquiry

682-09-7 / 2,2-bis(prop-2-enoxymethyl)butan-1-ol

Standard CAS: 682-09-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
682-09-7
Multi CAS
Yes
Molecular Formula
C12H22O3
Molecular Weight
214.300000
Exact Mass
214.156895
InChI
InChI=1S/C12H22O3/c1-4-7-14-10-12(6-3,9-13)11-15-8-5-2/h4-5,13H,1-2,6-11H2,3H3
InChIKey
BDKDHWOPFRTWPP-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.84
TPSA
38.69

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.5
Consensus LogP
1.62
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.73
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)
-2.76

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
1.5

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