Basic information
- CAS
40015-15-4- Standard SMILES
COC(CSC)OC- InChIKey
DVOAQLUDKIFSNB-UHFFFAOYSA-N- Molecular formula
- C5H12O2S
- Average molar mass
- 136.21 g/mol
- Monoisotopic mass
- 136.05580079
Names & identifiers
- Preferred name
- (Methylthio)acetaldehyde dimethyl acetal
- IUPAC
- 1,1-dimethoxy-2-methylsulfanylethane
- English name
- 1,1-Dimethoxy-2-(methylthio)ethane
- Molecular formula
- C5H12O2S
- Molecular weight
- 136.21
Names & synonyms
40015-15-4(Methylthio)acetaldehyde dimethyl acetal1,1-dimethoxy-2-(methylthio)ethaneethane, 1,1-dimethoxy-2-(methylthio)-DTXSID90348544RefChem:406620DTXCID20299616628-705-4InChI=1/C5H12O2S/c1-6-5(7-2)4-8-3/h5H,4H2,1-3H(Methylthio)acetaldehydedimethylacetal1,1-dimethoxy-2-methylsulfanylethaneMFCD00009848
Show more names
2-(Methylthio)Ethane,1,1-diMethoxy-2-(Methylthio)-(Methylthio)acetaldehydeDimethylAcetal>(METHYLMERCAPTO)ACETALDEHYDE DIMETHYL ACETAL(Methylthio)acetaldehyde diMethyl acetal 97%1,1-Dimethoxy-2-(methylthio)ethane (Methylmercapto)acetaldehyde Dimethyl Acetal
1,1-DIMETHOXY-2-(METHYLSULFANYL)ETHANE1,1-dimethoxy-2-methylsulfanyl-ethane(Methylmercapto)acetaldehyde Dimethyl AcetalSCHEMBL490352DVOAQLUDKIFSNB-UHFFFAOYSA-N(2,2-dimethoxyethyl)(methyl)sulfaneAKOS009157082AS-47747
Database identifiers
- CAS
40015-15-4- PubChem CID
- 638113
- DTXSID
DTXSID90348544- EC Number
- 628-705-4
- Nikkaji
- J1.320.744E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 45
Physicochemical properties
- Boiling point
- 59 · 59-60 °C13 mm Hg(lit.)
- Density
- 1.022 g/mL · 1.022 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4528(lit.)
- Flash point
- 2 °F · −2 °F
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- Liquid
- color
- Clear colorless
- BRN
- 773689 · 773689
- LogP
- 1.146 · 1.146 (est)
- CAS DataBase Reference
- 40015 · 40015-15-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H225-H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P305+P351+P338
- Hazard Codes
- F,Xi
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (91.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (91.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (91.3%)；Skin Irrit. 2 (91.3%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)
Safety data
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29309099
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- safety_code
- 16-26-36/37/39
- hazard_class
- 3
- packing_group
Chemistry & industry
Applications
Uses(Methylthio)acetaldehyde dimethyl acetal may be used in chemical synthesis studies.
Upstream & downstream products
Upstream raw materials
Suppliers76 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
1 records
Compound notes
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