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CAS 140-67-0 4-Allylanisole molecular structure lightbox
CAS RN: 140-67-0

4-Allylanisole

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260514 100ml In stock Shanghai, Chongqing Inquiry
Batchno.20251025 2.5L In stock Shanghai Inquiry
Batchno.20260627 25ml In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20251120 500ml In stock Shanghai, Shandong Inquiry
Batchno.20250422 5ml In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: SSC-050468
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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: 100g
  • 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 140-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

140-67-0 / 1-methoxy-4-prop-2-enylbenzene

Standard CAS: 140-67-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
140-67-0
Multi CAS
No
Molecular Formula
C10H12O
Molecular Weight
148.200000
Exact Mass
148.088815
SMILES
COC1=CC=C(C=C1)CC=C
InChI
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
InChIKey
ZFMSMUAANRJZFM-UHFFFAOYSA-N

Physical Properties

Boiling Point
421 °F at 764 mmHg (NTP, 1992) 216 °C at 764 mm Hg BP: 108-114 °C at 25 mm Hg; 95-96 °C at 12 mm Hg 215.00 to 216.00 °C. @ 760.00 mm Hg
Density
0.9645 at 70 °F (NTP, 1992) - Less dense than water; will float 0.965 g/cu cm at 25 °C 0.960-0.968
Physical Description
Estragole is a colorless liquid with odor of anise. Insoluble in water. Isolated from rind of persea gratissima grath. and from oil of estragon. Found in oils of Russian anise, basil, fennel turpentine, tarragon oil, anise bark oil. (NTP, 1992) Colorless liquid with an odor of anise; [Hawley] Colourless to light yellow liquid; Anise-like aroma
Appearance
Liquid Colorless to light yellow liquid
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
46.9
TPSA
9.23

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
3.4
Consensus LogP
2.65
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-1.9

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
Warning
GHS Hazard Statements
H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (11%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (99.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] H341 (98.4%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H351 (98.4%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P333+P317, P362+P364, P405, and P501 P210, P264, P270, P280, P301+P317, P330, P370+P378, P403, and P501

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