CompoundList
Sign in
Sulfur and phosphorus compounds

1-Phenylethanethiol

Also known as Benzenemethanethiol, alpha-methyl-, 1-phenylethane-1-thiol, 1-Phenylethyl mercaptan

CAS 6263-65-6Formula C8H10SMolar mass 138.24 g/molEC 613-066-6
GHS signal word: Warning. Pictograms: Harmful or irritant, Serious health hazard
Get quotes Safety data
1-Phenylethanethiol chemical structure, C8H10S, CAS 6263-65-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6263-65-6
Formula
C8H10S
Molar mass
138.24 g/mol
EC number
613-066-6
HS code
293090
Category
Sulfur and phosphorus compounds

What is 1-Phenylethanethiol?

Plain description, key identifiers and synonyms

1-Phenylethane-1-thiol is a member of benzenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-phenylethanethiol
CAS number
6263-65-6 CAS number cross-checkedOther or deprecated CAS: 33877-11-1
EC number
613-066-6
Molecular formula
C8H10S
UNII
62EE7Q6MB0
MDL number
MFCD00053515
InChIKey
QZZBJCFNHPYNKO-UHFFFAOYSA-N
InChI
InChI=1S/C8H10S/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
SMILES (canonical and isomeric)
CC(C1=CC=CC=C1)S

Synonyms

  • Benzenemethanethiol, alpha-methyl-
  • 1-phenylethane-1-thiol
  • 1-Phenylethyl mercaptan
  • (+/-)-1-Phenylethylmercaptan
  • 1-phenethyl mercaptan
  • phenylethanethiol
  • Benzenemethanethiol, alpha-methyl-, (S)-
  • 1-phenyl-ethanethiol
  • 1-phenylethylmercaptan
  • 1-Mercapto-1-phenylethane
  • alpha-Methyl-Benzenemethanethiol
  • Ethanethiol, 1-phenyl-
  • Benzenemethanethiol, |_-methyl-
  • alpha-methylbenzyl thiol
  • 1-Phenylethyl mercaptan, AldrichCPR
  • alpha-Methyl-(S)-Benzenemethanethiol
  • alpha-methylbenzenemethanethiol
  • 1-Phenylethylmercaptan, (+/-)-
  • alpha-methyl-alpha-toluenethiol
  • alpha-toluenethiol, alpha-methyl-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
138.24 g/molcalc.
Exact mass
138.0503 Dacalc.
LogP (octanol/water)
2.68calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
9calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (20)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

1-Phenylethanethiol suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade 1-Phenylethanethiol can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

1-Phenylethanethiol price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Functional uses

  • Flavouring and nutrient

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce, Regulatory flags: Added by a premanufacture notice

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 1-Phenylethanethiol is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 1-Phenylethanethiol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 1-Phenylethanethiol, based on the data on this page

What is 1-Phenylethanethiol?

1-Phenylethane-1-thiol is a member of benzenes.

What is the CAS number of 1-Phenylethanethiol?

The CAS registry number of 1-Phenylethanethiol is 6263-65-6. Other or deprecated CAS numbers: 33877-11-1.

What is the molecular formula and weight of 1-Phenylethanethiol?

The molecular formula of 1-Phenylethanethiol is C8H10S and its molar mass is 138.24 g/mol.

What is 1-Phenylethanethiol used for?

Known uses and roles of 1-Phenylethanethiol include building blocks in research and laboratory, screening compounds in research and laboratory and flavouring and nutrient.

Is 1-Phenylethanethiol hazardous?

1-Phenylethanethiol carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 1-Phenylethanethiol?

1-Phenylethanethiol is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 1-Phenylethanethiol?

Post a free request on CompoundList and suppliers of 1-Phenylethanethiol will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 1-Phenylethanethiol?

Suppliers quote 1-Phenylethanethiol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 1-Phenylethanethiol

Get quotes for 1-Phenylethanethiol

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell 1-Phenylethanethiol
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of 1-Phenylethanethiol with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/1-phenylethanethiol-6263-65-6" title="1-Phenylethanethiol structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Sulfur and phosphorus compounds or HS code 293090

Price on request
Free quotes, contact stays private
Get quotes