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CAS 10321-71-8 4-Methyl-2-pentenoic Acid (stabilized with HQ) molecular structure lightbox
CAS RN: 10321-71-8

4-Methyl-2-pentenoic Acid (stabilized with HQ)

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250120 5ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260530 1g In stock Shanghai Inquiry
Batchno.20250409 250mg In stock Shanghai Inquiry
Batchno.20260519 25g In stock Shanghai Inquiry
Batchno.20250415 5g In stock Shanghai Inquiry
  • Product code: SSC-004642
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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: 5ml
  • 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 10321-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5ml ≥97% 0 Out of Stock Shenzhen Inquiry

10321-71-8 / (Z)-4-methylpent-2-enoic acid

4-methyl-pent-2-enoic acid | isohexenoic acid | Pregabalin Impurity 170

Standard CAS: 10321-71-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10321-71-8
Multi CAS
Yes
Molecular Formula
C6H10O2
Molecular Weight
114.140000
Exact Mass
114.068080
SMILES
CC(C)/C=C\C(=O)O
InChI
InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3-
InChIKey
QAOXMQCWUWZZNC-ARJAWSKDSA-N
Synonyms
4-methyl-pent-2-enoic acid isohexenoic acid Pregabalin Impurity 170 SCHEMBL43207 SCHEMBL3614963

Physical Properties

Melting Point
35 °C
Boiling Point
203.00 to 204.00 °C. @ 760.00 mm Hg
Density
0.950-0.960
Physical Description
Solid Colourless liquid; Fatty fruity aroma
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.61
TPSA
37.3

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.4
Consensus LogP
1.27
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-2.51

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)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (99.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (34.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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