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CAS 116-37-0 1,1′-isopropylidenebis(p-phenyleneoxy)dipropan-2-ol molecular structure lightbox
CAS RN: 116-37-0

1,1′-isopropylidenebis(p-phenyleneoxy)dipropan-2-ol

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260227 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250306 1g Out of stock Inquiry
Batchno.20260313 250mg In stock Shanghai Inquiry
  • Product code: SSC-016023
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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: 0.1g, 0.25g, 1g
  • 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 116-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

116-37-0 / 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol

Bisphenol A bis(2-hydroxypropyl) ether | Dianol 33 | Isopropylidenediphenoxypropanol

Standard CAS: 116-37-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
116-37-0
Multi CAS
Yes
Molecular Formula
C21H28O4
Molecular Weight
344.400000
Exact Mass
344.198759
SMILES
CC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(C)O)O
InChI
InChI=1S/C21H28O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h5-12,15-16,22-23H,13-14H2,1-4H3
InChIKey
MIUUNYUUEFHIHM-UHFFFAOYSA-N
Synonyms
Bisphenol A bis(2-hydroxypropyl) ether Dianol 33 Isopropylidenediphenoxypropanol Dow Resin 565 Bisphenol A bis(beta-hydroxypropyl) ether

Physical Properties

Physical Description
White flakes

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
99.36
TPSA
58.92

LogP / Solubility

WLOGP
3.53
MLOGP
3.13
XLogP3
4.2
Consensus LogP
3.62
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Environmental Hazard
GHS Hazard Statements
H411 (41.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H412 (47.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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