Basic information
- CAS
53555-41-2- Standard SMILES
CC(C)(COS(C)(=O)=O)COS(C)(=O)=O- InChIKey
MBBDNGMNEVIICT-UHFFFAOYSA-N- Molecular formula
- C7H16O6S2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.03883023
Names & identifiers
- Preferred name
- Neopentyl glycol dimethylsulfate
- IUPAC
- (2,2-dimethyl-3-methylsulfonyloxypropyl) methanesulfonate
- English name
- Neopentyl glycol dimethylsulfate 97
- Molecular formula
- C7H16O6S2
- Molecular weight
- 260.33
Names & synonyms
Neopentyl glycol dimethylsulfateDTXSID20305786RefChem:832332DTXCID70256916611-011-053555-41-22,2-Dimethylpropane-1,3-diyl dimethanesulfonate2,2-Dimethyl-1,3-propanediol dimethylsulfate(2,2-dimethyl-3-methylsulfonyloxypropyl) methanesulfonateMFCD009663243-(methanesulfonyloxy)-2,2-dimethylpropyl methanesulfonateNEOPENTYL GLYCOL DIMETHYLSULFATE 97
Show more names
Neopentyl glycol dimethylsulfate 97Neopentyl glycol dimethylsulfate 97%1,3-Propanediol, 2,2-dimethyl-, 1,3-dimethanesulfonate2,2-Dimethyl-1,3-propanediol dimethylsulfate - [D73375]
NSC171672SCHEMBL9130270DCA55541AKOS015831322Neopentyl glycol dimethylsulfate, 97%NSC 171672NSC-171672NEOPENTYL GLYCOL DIMETHYLSULFATE97
Database identifiers
- CAS
53555-41-2- PubChem CID
- 299203
- DTXSID
DTXSID20305786- EC Number
- 611-011-0
- Nikkaji
- J1.630.800E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Melting point
- 69 · 69-74 °C
- Boiling point
- 457.8 · 457.8±28.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-30°C
- form
- solid
- Appearance
- Off-white to light yellow Solid
- InChI
- 1S/C7H16O6S2/c1-7(2,5-12-14(3,8)9)6-13-15(4,10)11/h5-6H2,1-4H3
- InChIKey
- MBBDNGMNEVIICT-UHFFFAOYSA-N
- SMILES
- CC(C)(COS(C)(=O)=O)COS(C)(=O)=O
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-36/39
- WGK Germany
- 2 · 2
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 1 · Eye Dam. 1
Safety & regulation
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- wgk
- 2
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-36/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H318
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers24 total
郑州汇聚化工有限公司13393710386 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
江苏药恒医药科技有限公司13524761129 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
重庆志圣科技有限公司023-67586781 17783613370 · [email protected]
黑龙江乌苏里江制药有限公司迎春分公司15545570712 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
三晶新材料科技（泰州）有限公司13852622638 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
济南诺博汀精细化工有限公司18798187137 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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