ChemicalBook--->CAS DataBase List--->4500-58-7

4500-58-7

4500-58-7 Structure

4500-58-7 Structure
IdentificationMore
[Name]

2-Ethylbenzenethiol
[CAS]

4500-58-7
[Synonyms]

2-ETHYLBENZENETHIOL
2-ETHYL MERCAPTOPHENOL
2-ETHYLTHIOPHENOL
FEMA 3345
2-ethyl-benzenethio
o-ethylbenzenethiol
2-ETHYLBENZENETHIOL, TECH., 90%
2-ETHYLTHIOPHENOL 94+%
2-ETHYLTHIOPHENOL 98%
Benzenethiol, 2-ethyl-
2-ETHYLTHIOPHENOL,TECHNICAL
P-Ethyl thiophenol
2-ETHYLTHIOPHENOL, 95% FEMA NO.3345
2-Ethylphenyl mercaptan
2-ETHYLTHIOPHENOL (FOOD GRADE)
1-Ethyl-2-mercaptobenzene
2-Ethyl-1-benzenethiol
[EINECS(EC#)]

224-811-6
[Molecular Formula]

C8H10S
[MDL Number]

MFCD00010022
[Molecular Weight]

138.23
[MOL File]

4500-58-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear light yellow liquid
[Melting point ]

-30°C (estimate)
[Boiling point ]

203-205 °C (lit.)
[density ]

1.025 g/mL at 25 °C
[FEMA ]

3345
[refractive index ]

n20/D 1.5682(lit.)
[Fp ]

177 °F
[pka]

6.81±0.43(Predicted)
[Specific Gravity]

1.025
[Odor]

at 0.10 % in propylene glycol. sulfurous roasted meaty smoky
[biological source]

synthetic
[Odor Type]

sulfurous
[Sensitive ]

Air Sensitive
[JECFA Number]

529
[BRN ]

2553288
[Major Application]

flavors and fragrances
[InChI]

1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
[InChIKey]

ABROBCBIIWHVNS-UHFFFAOYSA-N
[SMILES]

CCc1ccccc1S
[LogP]

3.51
[CAS DataBase Reference]

4500-58-7(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Ethylbenzenethiol(4500-58-7)
[EPA Substance Registry System]

4500-58-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

2810
[WGK Germany ]

3
[TSCA ]

T
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Ethylphenyl mercaptan(4500-58-7).msds
Hazard InformationBack Directory
[Chemical Properties]

2-Ethylthiophenol has a pungent, roasted odor
[Chemical Properties]

clear light yellow liquid
[Uses]

flavors and fragrances
[Definition]

ChEBI: 2-Ethylbenzenethiol is a thiol.
[Aroma threshold values]

Aroma characteristics at 0.1%: alliaceous, burnt meaty, rubber tire-like with dried fish, vegetative, nutty and coffee with a catty nuance.
[Taste threshold values]

Taste characteristics at 0.1 ppm: onion, horseradish, nutty, meaty, fishy with roasted sesame seed and toasted bread notes.
[General Description]

2-Ethylbenzenethiol is a strong mixed type inhibitor of ethylbenzene dehydrogenase.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Ethylbenzenethiol(4500-58-7)1HNMR
2-Ethylbenzenethiol(4500-58-7)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Ethylthiophenol, 98%(4500-58-7)
[Alfa Aesar]

2-Ethylthiophenol, 95%(4500-58-7)
[Sigma Aldrich]

4500-58-7(sigmaaldrich)
[TCI AMERICA]

2-Ethylbenzenethiol,>95.0%(GC)(4500-58-7)
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