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870-23-5

870-23-5 Structure

870-23-5 Structure
IdentificationMore
[Name]

Allyl mercaptan
[CAS]

870-23-5
[Synonyms]

2-PROPEN-1-THIOL
2-PROPENE-1-THIOL
ALLYL MERCAPTAN
ALLYL SULFHYDRATE
ALLYLTHIOL
FEMA 2035
2-propenyl mercaptan
CH2=CHCH2SH
mercaptanallylique
propenemercaptan
Allylmercaptantech
prop-2-ene-1-thiol
ALLYL MERCAPTAN 85+%
ALLYLMERCAPTAN 80%
Allylmercaptan,tech.70%
Allyl mercaptan, tech., 60%, remainder mainly sulfide
Prop-2-en-1-thiol
ALLYL MERCAPTAN, 75% (REMAINDER ALLYL DISULFIDE)
2-Propene-1-thiol, Allyl mercaptan
1-Propene-3-thiol
[EINECS(EC#)]

212-792-7
[Molecular Formula]

C3H6S
[MDL Number]

MFCD00004894
[Molecular Weight]

74.14
[MOL File]

870-23-5.mol
Chemical PropertiesBack Directory
[Appearance]

colourless to faintly yellow-brown liquid
[Melting point ]

175-176 °C(Solv: benzene (71-43-2))
[Boiling point ]

67-68 °C (lit.)
[density ]

0.898 g/mL at 25 °C(lit.)
[FEMA ]

2035
[refractive index ]

n20/D 1.4765(lit.)
[Fp ]

18 °C
[storage temp. ]

−20°C
[solubility ]

Not miscible or difficult to mix.
[form ]

Liquid
[pka]

9.83±0.10(Predicted)
[color ]

Clear colorless to light yellow
[Odor]

at 0.10 % in propylene glycol. alliaceous sulfurous garlic onion roasted
[Stability:]

Stable, but highly flammable. Incompatible with strong bases, strong oxidizing agents, reactive metals.
[biological source]

synthetic
[Odor Type]

sulfurous
[Sensitive ]

Air Sensitive
[JECFA Number]

521
[BRN ]

1697523
[Major Application]

flavors and fragrances
[InChI]

1S/C3H6S/c1-2-3-4/h2,4H,1,3H2
[InChIKey]

ULIKDJVNUXNQHS-UHFFFAOYSA-N
[SMILES]

SCC=C
[LogP]

1.51
[Uses]

Allyl Mercaptan is a synthetic flavoring agent that is a stable, color- less liquid of garlic-like odor. it should be stored in glass or tin con- tainers. it is used in artificial garlic flavors for application in condiments at 3 ppm, and in baked goods at 2 ppm. it is also termed 2 propylene-1 thiol.
[CAS DataBase Reference]

870-23-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Allyl mercaptan(870-23-5)
[EPA Substance Registry System]

2-Propene-1-thiol (870-23-5)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H225-H302+H332-H319
[Precautionary statements ]

P210-P233-P240-P301+P312-P304+P340+P312-P305+P351+P338
[Hazard Codes ]

F
[Risk Statements ]

R11:Highly Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S33:Take precautionary measures against static discharges .
S9:Keep container in a well-ventilated place .
[RIDADR ]

UN 1228 3/PG 2
[WGK Germany ]

3
[F ]

10-13-23
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29309090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
[Safety Profile]

Poison by inhalation and ingestion. Strong irritant to skin and mucous membranes. When heated to decomposition it emits highly toxic fumes of SO,. Very dangerous fire hazard. To fight fire, use water mist or spray, alcohol foam, Con, or dry chemical. See also ALLYL COMPOUNDS and MERCAPTANS
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Pyridinium, 2-(methylthio)-4,6-diphenyl-1-(2-propenyl)-, iodide-->cyclopent-2-ene-1-thione-->Thiirane, 2-(bromomethyl)--->cyclohexa-1,3-diene-->Allicin-->Allylthioacetate-->ALLYL IODIDE-->1,3-Cyclopentadiene-->Allyl chloride-->Benzene-->Carbamimidothioic acid-->Allyl bromide-->Allyl alcohol
[Preparation Products]

Diallyldisulfide-->1,3-Dimercaptopropane-->S-2-PROPEN-1-YL ESTER CARBONOCHLORIDOTHIOIC ACID
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Propene-1-thiol(870-23-5).msds
Hazard InformationBack Directory
[Chemical Properties]

A colorless liquid with strong garlic odor. Used as a flavor enhancer, flavoring agent or adjuvant
[Chemical Properties]

colourless to faintly yellow-brown liquid
[Occurrence]

Reported found in onion, garlic and caucas (Allium victoralis L.).
[Definition]

ChEBI: 2-Propene-1-thiol is an alkanethiol.
[Preparation]

Produced from Ally] bromide and Potassium hydrosulfide.
[Aroma threshold values]

Detection: 0.005 ppb
Spectrum DetailBack Directory
[Spectrum Detail]

Allyl mercaptan(870-23-5)1HNMR
Allyl mercaptan(870-23-5)13CNMR
Allyl mercaptan(870-23-5)IR1
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