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Home> Hot Product Listed M   > METHALLYL SULFIDE
3886-69-9 structure

METHALLYL SULFIDE

Iupac Name:(1R)-1-phenylethanamine
CAS No.:3886-69-9
Molecular Weight:121.183
Molecular Formula:C34H34O6 (isomer)
Names and Identifiers
Synonyms

METHYLALLYL SULFIDE

Inchi
InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
InChkey
RQEUFEKYXDPUSK-SSDOTTSWSA-N
Canonical Smiles
CC(C1=CC=CC=C1)N
Properties
Density
1.24
Melting Point
-10℃
Boiling Point
388.4°C at 760 mmHg
Refractive Index
1.525-1.527
Flash Point
156.9°C
Alpha
40 o (NEAT)
HS Code
29214980
Safety and Handling
Risk Statements
R21/22;R34
Safety Statements
S26;S28;S36/37/39;S45
HazardClass
8
PackingGroup
III
Transport
UN 2735
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT TONNAGE_DATA_CONFIDENTIAL view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF SE 2014
Ercros SA 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:121.183g/mol
  • Molecular Formula:C34H34O6
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.2
  • Exact Mass:121.089
  • Monoisotopic Mass:121.089
  • Complexity:74.6
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:26A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAQAAAADCjBGAQyAIBAAACA AiBCAACCAAAgAAAIiIAABIgIICKAkRGAIABgkAAIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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