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CAS 527-53-7 1,2,3,5-Tetramethylbenzene molecular structure lightbox
CAS RN: 527-53-7

1,2,3,5-Tetramethylbenzene

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260104 1g In stock Shanghai Inquiry
Batchno.20260522 25g In stock Tianjin, Chengdu Inquiry
Batchno.20260317 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-159812
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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: 5g
  • 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 527-53-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

527-53-7 / 1,2,3,5-tetramethylbenzene

Standard CAS: 527-53-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
527-53-7
Multi CAS
Yes
Molecular Formula
C10H14
Molecular Weight
134.220000
Exact Mass
134.109550
InChI
InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3
InChIKey
BFIMMTCNYPIMRN-UHFFFAOYSA-N

Physical Properties

Melting Point
-10.6 °F (USCG, 1999)
Boiling Point
388.4 °F at 760 mmHg (USCG, 1999)
Density
0.891 at 68 °F (USCG, 1999) - Less dense than water; will float
Physical Description
1,2,3,5-tetramethylbenzene appears as a pale yellow to white liquid with a camphor-like odor. Flash point 165 °F. Less dense than water and only negligibly soluble in water. Slightly irritates the skin and eyes. Slightly toxic by ingestion but may irritate the mouth, throat and gastrointestinal tract. Pale yellow to white liquid with a camphor-like odor; [CAMEO]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.4
Molar refractivity
45.39
TPSA
0.0000

LogP / Solubility

WLOGP
2.92
MLOGP
2.56
XLogP3
4
Consensus LogP
3.16
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-1.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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