| Identification | Back Directory | [Name]
3-MERCAPTO-3-METHYL-1-BUTYL-1-FORMATE | [CAS]
50746-10-6 | [Synonyms]
FEMA 3855
3-METHYL-3-MERCAPTOBUTYLFORMATE
3-MERCAPTO-3-METHYLBUTYL FORMATE
3-Methyl-3-sulfanylbutyl formate
3-Mercapto-3-methyl-1-butylformate
3-Sulfanyl-3-methyl-1-butyl-1-formate
3-MERCAPTO-3-METHYL-1-BUTYL-1-FORMATE
3-Mercapto-3-Methyl-1-butanol 1-ForMate
3-Mercapto-3-methylbutyl formate (ester)
3-Mercapto-3-Methyl-1- butyl forMate - d6
1-Butanol, 3-mercapto-3-methyl-, 1-formate
Formic acid 3-mercapto-3-methyl-butyl ester
mercaptomethylbutylformate,3-mercapto-3-methylbutylformate
3-Mercapto-3-methylbutyl formate 3-Mercapto-3-methylbutyl formate | [Molecular Formula]
C6H12O2S | [MDL Number]
MFCD08457872 | [MOL File]
50746-10-6.mol | [Molecular Weight]
148.22 |
| Chemical Properties | Back Directory | [Boiling point ]
196℃ | [density ]
1.019 | [FEMA ]
3855 | 3-MERCAPTO-3-METHYLBUTYL FORMATE | [refractive index ]
n20/D1.460-1.462 | [Fp ]
76℃ | [storage temp. ]
2-8°C | [solubility ]
Chloroform (Sparingly), Methanol (Slightly) | [form ]
neat | [pka]
10.88±0.10(Predicted) | [color ]
Colourless | [Odor]
at 0.10 % in dipropylene glycol. sulfurous catty caramelised onion; roast coffee, roast meat, with a tropical nuance on dilution | [Odor Type]
sulfurous | [JECFA Number]
549 | [InChI]
InChI=1S/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3 | [InChIKey]
VTAPYUYITKYXJB-UHFFFAOYSA-N | [SMILES]
C(OC=O)CC(S)(C)C | [LogP]
1.42 |
| Hazard Information | Back Directory | [Occurrence]
Reported found in coffee. | [Uses]
3-Mercapto-3-methylbutyl formate is one of the major odor-active thiol in pan-roasted white sesame seeds. | [Definition]
ChEBI: 3-Mercapto-3-methylbutyl formate is a carboxylic ester. |
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| Company Name: |
Sigma-Aldrich
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021-61415566 800-8193336 |
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https://www.sigmaaldrich.cn |
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