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CAS 142-30-3 2,5-Dimethyl-3-hexyne-2,5-diol molecular structure lightbox
CAS RN: 142-30-3

2,5-Dimethyl-3-hexyne-2,5-diol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260419 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-052676
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 142-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 1 In Stock Shenzhen Inquiry
100g ≥98% 1 In Stock Beijing Inquiry
500g ≥98% 1 In Stock Hong Kong Inquiry

142-30-3 / 2,5-dimethylhex-3-yne-2,5-diol

Standard CAS: 142-30-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
142-30-3
Multi CAS
No
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
SMILES
CC(C)(C#CC(C)(C)O)O
InChI
InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3
InChIKey
IHJUECRFYCQBMW-UHFFFAOYSA-N

Physical Properties

Melting Point
95 °C
Boiling Point
205 °C @ 759 MM HG
Density
0.949 @ 20 °C/20 °C
Physical Description
Liquid White solid; [HSDB] Tan or off-white crystalline solid
Appearance
WHITE CRYSTALS
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.37
TPSA
40.46

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.1
Consensus LogP
0.36
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
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)
-3.21

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)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H317 (39.4%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (61.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H334 (24%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P333+P317, P337+P317, P342+P316, P362+P364, P403, and P501

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