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HCID 141850Erstellt: 27. Oktober 2026

1-Phenylethanethiol

(S)-1-PHENYLETHANETHIOL · (S)-1-phenethyl mercaptan · (S)-1-phenylethane-1-thiol · (1S)-1-phenylethane-1-thiol · Benzenemethanethiol, α-methyl-, (αS)- · Benzenemethanethiol, alpha-methyl-, (S)- · (1S)-1-Phenylethane-1-thiol(1S)-1-Phenylethane-1-thiol

https://huagongshe.com/de/chemical/141850

Identifikatoren & physikalische Daten

CAS No.	33877-11-1
Summenformel	C8H10S
Durchschnittliche Molmasse	138,23 g/mol
Monoisotopische Masse	138,05032132 g/mol
SMILES	CC(S)c1ccccc1
InChIKey	QZZBJCFNHPYNKO-UHFFFAOYSA-N
PubChem CID	141850
ChEBI	CHEBI:185003
EC No.	613-066-6
DTXSID	DTXSID60863734

Chemische & physikalische Eigenschaften

XLogP	2,4
Polarare Oberfläche (TPSA)	1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	9
Formalladung	0
Komplexität	74,6
Lebensmittelzusatzstoffe	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte	1.017-1.0211.0220
Aromastoffe	EU Flavoring substances
Löslichkeit	Insoluble in waterSoluble (in ethanol)
Siedepunkt	207-208 °C213.67°C (estimate)
Brechungsindex	1.579-1.5851.5593
Physical Description	Yellow oily liquidMeat-like, pungent odour
Schmelzpunkt	-30°C (estimate)
Lagerbedingungen	2-8°C, stored under nitrogen
pKa (Säurekonstante)	10.12±0.10(Predicted)
LogP (Verteilungskoeffizient)	2.939 (est)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1419) of reports.WarningH302 (93.7%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1419 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and Categories	Acute Tox. 4 (93.7%)

CAS No.

33877-11-1

Summenformel

C8H10S

Durchschnittliche Molmasse

138,23 g/mol

Monoisotopische Masse

138,05032132 g/mol

SMILES

CC(S)c1ccccc1

InChIKey

QZZBJCFNHPYNKO-UHFFFAOYSA-N

PubChem CID

141850

ChEBI

CHEBI:185003

EC No.

613-066-6

DTXSID

DTXSID60863734

Chemische & physikalische Eigenschaften

XLogP

2,4

Polarare Oberfläche (TPSA)

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

74,6

Lebensmittelzusatzstoffe

FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Dichte

1.017-1.0211.0220

Aromastoffe

EU Flavoring substances

Löslichkeit

Insoluble in waterSoluble (in ethanol)

Siedepunkt

207-208 °C213.67°C (estimate)

Brechungsindex

1.579-1.5851.5593

Physical Description

Yellow oily liquidMeat-like, pungent odour

Schmelzpunkt

-30°C (estimate)

Lagerbedingungen

2-8°C, stored under nitrogen

pKa (Säurekonstante)

10.12±0.10(Predicted)

LogP (Verteilungskoeffizient)

2.939 (est)

Sicherheit & Vorschriften

GHS-Einstufung

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1419) of reports.WarningH302 (93.7%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1419 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Regulatorische Informationen

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and Categories

Acute Tox. 4 (93.7%)