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CAS 10599-70-9 3-Acetyl-2,5-dimethylfuran molecular structure lightbox
CAS RN: 10599-70-9

3-Acetyl-2,5-dimethylfuran

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260214 5g / 25g / 100g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-007623
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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: 25g
  • 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 10599-70-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

10599-70-9 / 1-(2,5-dimethylfuran-3-yl)ethanone

3-Acetyl-2,5-dimethylfuran | 1-(2,5-dimethylfuran-3-yl)ethanone | 3-Acetyl-2,5-dimethyl furan

Standard CAS: 10599-70-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10599-70-9
Multi CAS
No
Molecular Formula
C8H10O2
Molecular Weight
138.160000
Exact Mass
138.068080
SMILES
CC1=CC(=C(O1)C)C(=O)C
InChI
InChI=1S/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
InChIKey
KBSVBCHYXYXDAG-UHFFFAOYSA-N
Synonyms
3-Acetyl-2,5-dimethylfuran 1-(2,5-dimethylfuran-3-yl)ethanone 3-Acetyl-2,5-dimethyl furan 1-(2,5-Dimethyl-3-furyl)ethan-1-one Ethanone, 1-(2,5-dimethyl-3-furanyl)-

Physical Properties

Boiling Point
62.00 °C. @ 0.25 mm Hg
Density
1.034-1.048
Physical Description
Yellow liquid; Liquid Colorless to yellow liquid; Sweet nutty hazelnut aroma with earthy undertones
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.19
TPSA
30.21

LogP / Solubility

WLOGP
2.1
MLOGP
1.84
XLogP3
1.5
Consensus LogP
1.81
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 987 of 994 companies (only 0.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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