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CAS 1576-96-1 TRANS-2-PENTEN-1-OL molecular structure lightbox
CAS RN: 1576-96-1

TRANS-2-PENTEN-1-OL

  • Product code: SSC-066478
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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: 10g
  • 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 1576-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

1576-96-1 / (E)-pent-2-en-1-ol

Standard CAS: 1576-96-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1576-96-1
Multi CAS
No
Molecular Formula
C5H10O
Molecular Weight
86.130000
Exact Mass
86.073165
SMILES
CC/C=C/CO
InChI
InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3+
InChIKey
BTSIZIIPFNVMHF-ONEGZZNKSA-N

Physical Properties

Density
0.844-0.850
Physical Description
Colourless liquid; Green diffusive aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.52
TPSA
20.23

LogP / Solubility

WLOGP
0.94
MLOGP
0.82
XLogP3
0.9
Consensus LogP
0.89
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.24
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)
-2.57

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
1.5

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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