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CAS 85-42-7 Hexahydrophthalic anhydride molecular structure lightbox
CAS RN: 85-42-7

Hexahydrophthalic anhydride

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250325 100g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250525 1kg In stock Shanghai Inquiry
Batchno.20250403 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250430 500g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-192823
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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: ≥97%
  • 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 85-42-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Beijing Inquiry

85-42-7 / 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione

Standard CAS: 85-42-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
85-42-7
Multi CAS
Yes
Molecular Formula
C8H10O3
Molecular Weight
154.160000
Exact Mass
154.062994
InChI
InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2
InChIKey
MUTGBJKUEZFXGO-UHFFFAOYSA-N

Physical Properties

Melting Point
32 °C 35-36 °C 89.6 °F
Boiling Point
BP: 145 °C at 18 mm Hg 296 °C 564.8 °F
Density
1.19 at 40 °C 5.3
Physical Description
Pellets or Large Crystals; Liquid; Dry Powder; Other Solid Solid; [ICSC] Glassy solid; [EPA ChAMP] White solid; SOLID IN VARIOUS FORMS. Dry powder or solid in various forms, or clear, colorless, viscous liquid.
Appearance
Clear, colorless, viscous liquid ... becomes a glassy solid at 35-36 °C
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
H-bond acceptors
3
Molar refractivity
36.55
TPSA
43.37

LogP / Solubility

WLOGP
0.88
MLOGP
0.77
XLogP3
1.2
Consensus LogP
0.95
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
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)
-3.04

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
2.5

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