α-甲基-β-羟丙基α-甲基-β-巯基丙基硫醚 (CAS No. 54957-02-7) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include 有机化学品. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.
有机化学品
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The CAS number of α-甲基-β-羟丙基α-甲基-β-巯基丙基硫醚 is 54957-02-7.
Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.
Main applications include 有机化学品.
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α-Methyl-β-hydroxypropyl-α-Methyl-β-Mercapto propyl sulfide · CAS 54957-02-7 · C8H18OS2. UNII T27YXW53EF. Boiling Point: 85.00 to 88.00 °C. @ 0.40 mm Hg; Boiling Point: 85-88 °C (0.4 mm Hg); Density: 1.040-1.050.
| CAS Registry Number | 54957-02-7 |
|---|---|
| PubChem CID | 62090 |
| Molecular formula | C8H18OS2 |
| IUPAC name | 3-(3-sulfanylbutan-2-ylsulfanyl)butan-2-ol |
| UNII (FDA) | T27YXW53EF |
| FEMA number | 3509 |
| JECFA number | 547 |
| Molecular Weight | 194.4 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 194.07990754 |
| Monoisotopic Mass | 194.07990754 |
| Topological Polar Surface Area | 46.5 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Boiling Point | 85.00 to 88.00 °C. @ 0.40 mm Hg |
|---|---|
| Boiling Point | 85-88 °C (0.4 mm Hg) |
| Density | 1.040-1.050 |
| Refractive Index | 1.512-1.522 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 87.9% (80 / 91) |
| GHS notification summary | 87.9% (80 / 91) |
|---|---|
| Reported hazard statements | H335 (12.1%) |
This chemical does not meet GHS hazard criteria for 87.9% (80 of 91) of all reports.
H335 (12.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
3-((2-Mercapto-1-methylpropyl)thio)-2-butanol; 54957-02-7; FEMA No. 3509; roasted butanol; UNII-T27YXW53EF; T27YXW53EF; 3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol; 2-Butanol, 3-((2-mercapto-1-methylpropyl)thio)-; THIONOL 966; 3-[(3-SULFANYLBUTAN-2-YL)SULFANYL]BUTAN-2-OL; DTXSID90866455; 2-Butanol, 3-[(2-mercapto-1-methylpropyl)thio]-; .ALPHA.-METHYL-.BETA.-HYDROXYPROPYL.ALPHA.-METHYL-.BETA.-MERCAPTOPROPYL SULFIDE [FHFI]; .ALPHA.-METHYL-.BETA.-MERCAPTOPROPYL .ALPHA.'-METHYL-.BETA.'-HYDROXYPROPYL SULFIDE; 3-((3-Sulfanylbutan-2-yl)sulfanyl)butan-2-ol; RefChem:91981
CAS 54957-02-7; molecular formula C8H18OS2; molecular weight — g/mol.
3-((2-Mercapto-1-methylpropyl)thio)-2-butanol, 54957-02-7, FEMA No. 3509, roasted butanol, UNII-T27YXW53EF, T27YXW53EF.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
87.9% of GHS notifications report no hazard classification (80 of 91).
Boiling Point: 85.00 to 88.00 °C. @ 0.40 mm Hg; Boiling Point: 85-88 °C (0.4 mm Hg); Density: 1.040-1.050; Refractive Index: 1.512-1.522.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.
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