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CAS 1074-17-5 2-Propyltoluene molecular structure lightbox
CAS RN: 1074-17-5

2-Propyltoluene

  • Product code: SSC-008984
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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: ≥98%
  • 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 1074-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5ml ≥98% 0 Out of Stock Shenzhen Inquiry

1074-17-5 / 1-methyl-2-propylbenzene

1-METHYL-2-PROPYLBENZENE | 2-Propyltoluene | 2-n-Propyltoluene

Standard CAS: 1074-17-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1074-17-5
Multi CAS
No
Molecular Formula
C10H14
Molecular Weight
134.220000
Exact Mass
134.109550
SMILES
CCCC1=CC=CC=C1C
InChI
InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3
InChIKey
YQZBFMJOASEONC-UHFFFAOYSA-N
Synonyms
1-METHYL-2-PROPYLBENZENE 2-Propyltoluene 2-n-Propyltoluene o-Propyltoluene Toluene, o-propyl-

Physical Properties

Melting Point
-60.3 °C
Physical Description
Liquid; Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
Molar refractivity
45.17
TPSA
0.0000

LogP / Solubility

WLOGP
2.95
MLOGP
2.59
XLogP3
4.1
Consensus LogP
3.21
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly 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)
-1.45

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

Pictogram(s)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H226 (14.3%): Flammable liquid and vapor [Warning Flammable liquids] H317 (79.6%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (79.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P333+P317, P362+P364, P370+P378, P403+P235, and P501

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