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CAS 1076-56-8 2-Isopropyl-5-methylanisole molecular structure lightbox
CAS RN: 1076-56-8

2-Isopropyl-5-methylanisole

Product Availability

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7 package records6 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250101 100g In stock Inquiry
Batchno.20251104 1g In stock Inquiry
Batchno.20260201 25g In stock Inquiry
Batchno.20250416 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250922 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251214 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260418 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-009105
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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 1076-56-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

1076-56-8 / 2-methoxy-4-methyl-1-propan-2-ylbenzene

Thymyl methyl ether | RefChem:473901 | 2-Isopropyl-5-methylanisole

Standard CAS: 1076-56-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1076-56-8
Multi CAS
Yes
Molecular Formula
C11H16O
Molecular Weight
164.240000
Exact Mass
164.120115
SMILES
CC1=CC(=C(C=C1)C(C)C)OC
InChI
InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3
InChIKey
LSQXNMXDFRRDSJ-UHFFFAOYSA-N
Synonyms
Thymyl methyl ether RefChem:473901 2-Isopropyl-5-methylanisole Thymol methyl ether O-Methylthymol

Physical Properties

Boiling Point
214.00 to 216.00 °C. @ 760.00 mm Hg
Density
0.936-0.940
Physical Description
colourless, oily liquid with a warm-spicy rooty herbaceous note
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
51.82
TPSA
9.23

LogP / Solubility

WLOGP
3.13
MLOGP
2.75
XLogP3
3.8
Consensus LogP
3.23
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-1.5

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 Irritant
Signal
Warning
GHS Hazard Statements
H226 (28.9%): Flammable liquid and vapor [Warning Flammable liquids] H315 (27.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (27.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (27.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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