Basic information
- CAS
16630-60-7- Standard SMILES
CCCC(=O)OCCCSC- InChIKey
HSCZLQOPSGMKTK-UHFFFAOYSA-N- Molecular formula
- C8H16O2S
- Average molar mass
- 176.28 g/mol
- Monoisotopic mass
- 176.08710092
Overview
Methionyl butyrate is a fatty acid ester.
Names & identifiers
- Preferred name
- Methionyl butyrate
- IUPAC
- 3-methylsulfanylpropyl butanoate
- English name
- 3-(methylthio)propyl butyrate
- Molecular formula
- C8H16O2S
- Molecular weight
- 176.28
Names & synonyms
16630-60-73-(Methylthio)propyl butyrateMethionyl butyrate3-(METHYLSULFANYL)PROPYL BUTANOATE3-(methylthio)propyl butanoateV3QG29SI0PButanoic acid, 3-(methylthio)propyl esterEINECS 240-680-8FEMA NO. 4160METHIONYL BUTYRATE [FHFI]DTXSID501680881-PROPANOL, 3-(METHYLTHIO)-, BUTYRATE
Show more names
BUTYRIC ACID, 3-(METHYLTHIO)PROPYL ESTERRefChem:811747DTXCID70905793-methylsulfanylpropyl butanoateButanoic acid 3-(methylthio)propyl esterMFCD28098304UNII-V3QG29SI0PMETHIONYLBUTYRATE
Database identifiers
- CAS
16630-60-7- PubChem CID
- 85520
- DTXSID
DTXSID50168088- ChEBI
CHEBI:191929- UNII
- V3QG29SI0P
- EC Number
- 240-680-8
- Nikkaji
- J318.268A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.995-1.001
Flavoring AgentsEU Flavoring substances
Solubility
Practically insoluble to insoluble in water
Soluble (in ethanol)
Boiling Point
232.00 °C. @ 760.00 mm Hg
232 °C
Refractive Index1.458-1.463
Physical DescriptionColourless liquid; Cabbage/sewer odour
Physicochemical properties
- Boiling point
- 244.4 · 244.4±23.0℃
- Density
- 0.99 · 0.990±0.06 g/cm3 (20 ºC 760 Torr)
- FLAVIS Number
- 12.277 · 12.277 | 3-(Methylthio)propyl butyrate
- refractive index
- 1.458 · 1.458 (589.3 nm 20℃)
- FEMA
- 4160 · 4160 | METHIONYL BUTYRATE
- Flash point
- 102.3 · 102.3±10.6℃
- Odor
- 0.1 % · at 0.10 % in propylene glycol. fruity pineapple mushroom cheesy
- Odor Type
- sulfurous
- JECFA Number
- 1668 · 1668
- LogP
- 2.36 · 2.36
- Substances Added to Food (formerly EAFUS)
- METHIONYL BUTYRATE
- FDA UNII
- 3 QG29SI0P · V3QG29SI0P
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 87.1% (81 of 93) of all reports.
Warning
H315 (12.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 93 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Butanoic acid, 3-(methylthio)propyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesSkin Irrit. 2 (12.9%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Suppliers17 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
石家庄利达化学品有限公司+86 (311) 8573-7996 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
天津丹骏国际贸易有限公司15822601686 · [email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
LYSCHEM International LLC13911018262 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
深圳利斯康医药科技有限公司+86-0755-89396905 +86-18025329037 · [email protected]
Additional notes
DefinitionChEBI: Methionyl butyrate is a fatty acid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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