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S-Isopropyl 3-methylthiocrotonate

CAS 34365-79-2C8H14OSMW 158.26

S-Isopropyl 3-methylthiocrotonate (CAS 34365-79-2) — formula C8H14OS, molecular weight 158.26; category organic chemicals.

Product Overview

CAS Number34365-79-2
Molecular FormulaC8H14OS
Molecular Weight158.26
Boiling Point236.00 °C. @ 760.00 mm Hg
LogP2.9
CategoryOrganic Chemicals

Technical Profile

What this product is

S-Isopropyl 3-methylthiocrotonate is a carbon-based organic compound with CAS registry number 34365-79-2 and molecular formula C8H14OS (molecular weight 158.26), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 34365-79-2

Its molecular formula C8H14OS comprises 8 C, 14 H, 1 O, 1 S atoms.

Also known as: S-Isopropyl 3-methylthiocrotonate · 3-甲基硫代巴豆酸S-异丙酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of S-Isopropyl 3-methylthiocrotonate?

The CAS registry number of S-Isopropyl 3-methylthiocrotonate is 34365-79-2.

What is the molecular formula and molecular weight of S-Isopropyl 3-methylthiocrotonate?

Molecular formula C8H14OS, molecular weight 158.26.

What other names is S-Isopropyl 3-methylthiocrotonate known by?

It is also registered under: S-Isopropyl 3-methylthiocrotonate, 3-甲基硫代巴豆酸S-异丙酯.

Which category does S-Isopropyl 3-methylthiocrotonate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for S-Isopropyl 3-methylthiocrotonate (CAS 34365-79-2), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number34365-79-2
PubChem CID118658
Molecular formulaC8H14OS
IUPAC nameS-propan-2-yl 3-methylbut-2-enethioate
UNII (FDA)NZT1CT5W8U
FEMA number4260
JECFA number1679

Computed descriptors

Molecular Weight158.26
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass158.07653624
Monoisotopic Mass158.07653624
Topological Polar Surface Area42.4
Heavy Atom Count10

Physicochemical values on record

Boiling Point236.00 °C. @ 760.00 mm Hg
Boiling Point235-236 °C
Density1.006-1.012
Refractive Index1.486-1.492

Documented uses on record

    Flavoring Agents -> JECFA Flavorings IndexFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

    Synonyms and trade names

    34365-79-2; S-Isopropyl 3-methylbut-2-enethioate; S-Isopropyl 3-methylthiocrotonate; 2-Butenethioic acid, 3-methyl-, S-(1-methylethyl) ester; NZT1CT5W8U; S-1-Methylethyl 3-methylbut-2-enethioate; EINECS 251-966-7; DTXSID1067837; FEMA NO. 4260; s-isopropyl thiosenecioate; Crotonic acid, 3-methylthio-, S-isopropyl ester; 3-methyl-1-(propan-2-ylsulfanyl)but-2-en-1-one; S-ISOPROPYL 3-METHYL-2-BUTENETHIOATE; S-ISOPROPYL 3-METHYLBUT-2-ENETHIOATE [FHFI]; RefChem:884238; DTXCID6038829

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Green
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary6.6% (91 / 1378)

    GHS hazard classification

    GHS notification summary6.6% (91 / 1378)
    Reported hazard statementsH315 (93.4%), H319 (93.4%)

    This chemical does not meet GHS hazard criteria for 6.6% (91 of 1378) of reports.

    H315 (93.4%): Causes skin irritation [Warning Skin corrosion/irritation]

    What the public record says

    S-Isopropyl 3-methylthiocrotonate · CAS 34365-79-2 · C8H14OS. UNII NZT1CT5W8U. Boiling Point: 236.00 °C. @ 760.00 mm Hg; Boiling Point: 235-236 °C; Density: 1.006-1.012.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: 3-甲基硫代巴豆酸S-异丙酯

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