Basic information
- CAS
50448-95-8- Standard SMILES
CCCCC(CC)COC(=O)CCS- InChIKey
SUODCTNNAKSRHB-UHFFFAOYSA-N- Molecular formula
- C11H22O2S
- Average molar mass
- 218.36 g/mol
- Monoisotopic mass
- 218.13405094
Names & identifiers
- Preferred name
- 2-Ethylhexyl 3-mercaptopropionate
- IUPAC
- 2-ethylhexyl 3-sulfanylpropanoate
- English name
- 2-Ethylhexyl 3-Mercaptopropionate
- Molecular formula
- C11H22O2S
- Molecular weight
- 218.36
Names & synonyms
50448-95-82-Ethylhexyl 3-mercaptopropionate2-ethylhexyl 3-mercaptopropanoate3-Mercaptopropionic Acid 2-Ethylhexyl EsterPropanoic acid, 3-mercapto-, 2-ethylhexyl esterOW5186THXBEINECS 256-589-1FEMA NO. 4588DTXSID308661512-ETHYLHEXYL .BETA.-MERCAPTOPROPIONATE.BETA.-MERCAPTOPROPIONIC ACID 2-ETHYLHEXYL ESTERRefChem:471970
Show more names
2-EHMP2-Ethylhexyl-3-mercaptopropionat2-Ethylhexyl3-Mercaptopropionate>Mercaptopropionicacidethylhexylester
DTXCID508144722-ETHYLHEXYL BETA-MERCAPTOPROPIONATE(+-)-2-ETHYLHEXYL 3-MERCAPTOPROPIONATE2-ETHYLHEXYL 3-MERCAPTOPROPIONATE, (+-)-BETA-MERCAPTOPROPIONIC ACID 2-ETHYLHEXYL ESTER256-589-12-Ethylhexyl 3-sulfanylpropanoate2-Octyl 3-Mercaptopropionate
Database identifiers
- CAS
50448-95-8- PubChem CID
- 92640
- DTXSID
DTXSID30866151- UNII
- OW5186THXB
- EC Number
- 256-589-1
- Nikkaji
- J383.028D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.964-0.970 (20 °C)
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point283-284 °C
Refractive Index1.458-1.464
Physical DescriptionClear colourless to pale yellow liquid; Sweet penetrating aroma
Physicochemical properties
- Boiling point
- 285.9 · 285.9±23.0 °C(Predicted)
- Density
- 0 · 0,96 g/cm3
- vapor pressure
- 10.6 Pa · 10.6Pa at 25℃
- refractive index
- 1.459 to · 1.4590 to 1.4610
- FEMA
- 4588 · 4588 | 2-ETHYLHEXYL 3-MERCAPTOPROPIONATE
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (19%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 599 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-ethylhexyl 3-mercaptopropionate (EC: 256-589-1)
Hazard Classes and CategoriesAcute Tox. 4 (19%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2930.90.9250
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- safety_code
- 26-36
- Hazard statements
- H302-H317-H331-H400
- REACH Registrations
- Active
- Precautionary statements
- P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P273-P391-P501-P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationPropanoic acid, 3-mercapto-, 2-ethylhexyl ester: ACTIVE
Applications
Uses2-Ethylhexyl 3-Mercaptopropionate reacts with other thiols and is used to make certain polymers that show long-term stability.
Suppliers98 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海仲因实业有限公司
Related reactions
29 records
Compound notes
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