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CAS 626-38-0 sec-Amyl acetate molecular structure lightbox
CAS RN: 626-38-0

sec-Amyl acetate

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3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250829 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
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Batchno.20251114 100mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251021 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS626-38-0
  • Purity/Analytical Methods: >99.0%
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626-38-0 / pentan-2-yl acetate

Standard CAS: 626-38-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
626-38-0
Multi CAS
No
Molecular Formula
C7H14O2
Molecular Weight
130.180000
Exact Mass
130.099380
InChI
InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3
InChIKey
GQKZRWSUJHVIPE-UHFFFAOYSA-N

Physical Properties

Melting Point
-95.44 °F (USCG, 1999) -78.5 °C -148 °C -95.44 °F -109 °F
Boiling Point
271.4 °F at 760 mmHg (USCG, 1999) 130-131 °C 121 °C 271 °F 249 °F
Density
0.861 to 0.866 at 68 °F (USCG, 1999) 0.862 to 0.866 at 20 °C/20 °C Relative density (water = 1): 0.86 0.862-0.866 0.87
Physical Description
Sec-amyl acetate is a colorless to yellow watery liquid with a weak odor of bananas. Floats on water. Produces irritating vapor. (USCG, 1999) Colorless liquid with a mild odor; [NIOSH] Liquid COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. Clear colourless to slightly yellow liquid; herbaceous odour
Appearance
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
36.14
TPSA
26.3

LogP / Solubility

WLOGP
1.74
MLOGP
1.52
XLogP3
1.8
Consensus LogP
1.69
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.31
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)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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