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CAS 1300-94-3 2-Amyl-5-methylphenol molecular structure lightbox
CAS RN: 1300-94-3

2-Amyl-5-methylphenol

Product Availability

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9 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250911 1g In stock Inquiry
Batchno.20260302 25g Out of stock Inquiry
Batchno.20250824 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260208 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250415 100g Out of stock Inquiry
Batchno.20250217 10g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250604 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260418 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250117 5g In stock Shanghai Inquiry
  • Product code: SSC-036743
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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: 10g
  • 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 1300-94-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry

1300-94-3 / 5-methyl-2-pentylphenol

Standard CAS: 1300-94-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1300-94-3
Multi CAS
No
Molecular Formula
C12H18O
Molecular Weight
178.270000
Exact Mass
178.135765
SMILES
CCCCCC1=C(C=C(C=C1)C)O
InChI
InChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3
InChIKey
CKGWFZQGEQJZIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.07
TPSA
20.23

LogP / Solubility

WLOGP
3.43
MLOGP
3.02
XLogP3
4.4
Consensus LogP
3.62
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly 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)
-1.37

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 Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H361 (16.7%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H410 (14.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P391, P405, and P501

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