W387304
Methyl phenyl sulfide
≥99%
Synonym(s):
Thioanisole, Methyl phenyl sulfide
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About This Item
Linear Formula:
C6H5SCH3
CAS Number:
Molecular Weight:
124.20
Flavis number:
12.162
PubChem Substance ID:
UNSPSC Code:
12164502
FEMA Number:
3873
EC Number:
202-878-2
MDL number:
Beilstein/REAXYS Number:
1904179
Organoleptic:
sulfurous
Biological source:
synthetic
biological source
synthetic
assay
≥99%
refractive index
n20/D 1.587 (lit.)
bp
188 °C (lit.)
mp
−15 °C (lit.)
density
1.057 g/mL at 20 °C (lit.)
application(s)
flavors and fragrances
organoleptic
sulfurous
SMILES string
CSc1ccccc1
InChI
1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChI key
HNKJADCVZUBCPG-UHFFFAOYSA-N
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signalword
Warning
hcodes
Hazard Classifications
Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1B
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
163.4 °F - closed cup
flash_point_c
73 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Yoshihiro Yamakita et al.
The journal of physical chemistry. A, 112(47), 12220-12227 (2008-11-05)
Nonresonant Raman spectra and conformational stability are studied for thioanisole (TA) and substituted analogues [4-XTA, X = NO(2) (1), CN (2), H (3), CH(3) (4), and NH(2) (5)] at the 4-position. The ring-substituent (SCH(3)) vibrational modes of out-of-plane bending and
Jeong Sik Lim et al.
Nature chemistry, 2(8), 627-632 (2010-07-24)
Chemical reactions that occur in the ground electronic state are described well by invoking the Born-Oppenheimer approximation, which allows their development to be rationalized by nuclear rearrangements that smoothly traverse an adiabatic potential energy surface. The situation is different, however
Wen Wang et al.
Journal of the American Chemical Society, 131(36), 12892-12893 (2009-08-26)
Magnetic nanoparticles (MNPs) with a core diameter of 30 nm comprising several iron oxide crystals, a poly(glycidyl methacrylate) (PGMA) shell with a thickness of 30 nm, and a surface coated with chloroperoxidase (CPO) were facilely fabricated as a nanobiocatalyst for