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CAS 100-80-1 3-Methylstyrene (stabilized with TBC) molecular structure lightbox
CAS RN: 100-80-1

3-Methylstyrene (stabilized with TBC)

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260129 100g In stock Shanghai Inquiry
Batchno.20260404 10g Out of stock Inquiry
Batchno.20251010 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260117 25g In stock Shanghai Inquiry
Batchno.20260504 500g In stock Shanghai Inquiry
Batchno.20251229 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250721 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-000027
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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: ≥95%
  • 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 100-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

100-80-1 / 1-ethenyl-3-methylbenzene

1-Ethenyl-3-methylbenzene | 3-Ethenylmethylbenzene | RefChem:505507

Standard CAS: 100-80-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
100-80-1
Multi CAS
No
Molecular Formula
C9H10
Molecular Weight
118.180000
Exact Mass
118.078250
SMILES
CC1=CC(=CC=C1)C=C
InChI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InChIKey
JZHGRUMIRATHIU-UHFFFAOYSA-N
Synonyms
1-Ethenyl-3-methylbenzene 3-Ethenylmethylbenzene RefChem:505507 3-Methylstyrene 100-80-1

Physical Properties

Melting Point
-86.3 °C -86 °C
Boiling Point
170 °C 164 °C
Density
0.9076 g/cu cm at 25 °C 0.91 g/cm³ Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00
Physical Description
Colorless liquid; [ICSC] LIGHT YELLOW LIQUID WITH CHARACTERISTIC ODOUR.
Appearance
Liquid
State
Liquid
Storage Conditions
Fireproof. Separated from strong oxidants and strong acids. Well closed. Store only if stabilized. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Storage class (TRGS 510): Flammable liquids

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
Molar refractivity
41.27
TPSA
0.0000

LogP / Solubility

WLOGP
2.64
MLOGP
2.31
XLogP3
3.6
Consensus LogP
2.85
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-1.57

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 Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H304 (97.4%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (96.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
DOT ID (UN/NA Number)
2618
Hazard Class/Division
3
Packing Group
III

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