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W550159

Sigma-Aldrich

Styrene solution

20 wt. % in dipropylene glycol

Synonym(s):

Phenylethylene

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About This Item

Empirical Formula (Hill Notation):
C8H8
CAS Number:
100-42-5
Molecular Weight:
104.15
MDL number:
MFCD00008612
UNSPSC Code:
12164502
PubChem Substance ID:
24902119
Flavis number:
1.015
Pricing and availability is not currently available.

concentration

20 wt. % in dipropylene glycol

refractive index

n20/D 1.465

density

0.997 g/mL at 20 °C

SMILES string

C=Cc1ccccc1

InChI

1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2

InChI key

PPBRXRYQALVLMV-UHFFFAOYSA-N

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signalword

Danger

Hazard Classifications

Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 3 - Repr. 2 - Skin Irrit. 2 - STOT RE 1 - STOT SE 3

target_organs

hearing organs, Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

104.0 °F - closed cup

flash_point_c

40 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
18307EB

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Barry C Kelly et al.
Science (New York, N.Y.), 317(5835), 236-239 (2007-07-14)
Substances that accumulate to hazardous levels in living organisms pose environmental and human-health risks, which governments seek to reduce or eliminate. Regulatory authorities identify bioaccumulative substances as hydrophobic, fat-soluble chemicals having high octanol-water partition coefficients (K(OW))(>/=100,000). Here we show that
Bram Baert et al.
Bioorganic & medicinal chemistry, 15(22), 6943-6955 (2007-09-11)
A set of 116 structurally very diverse compounds, mainly drugs, was characterized by 1630 molecular descriptors. The biological property modelled in this study was the transdermal permeability coefficient logK(p). The main objective was to find a limited set of suitable

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