Magnesium neodecanoate
Basic information
- CAS
57453-97-1- Standard SMILES
CC(C)(C)CC(C)(C)CC(=O)[O-].[Mg+2]- InChIKey
PWHZISRQZCOJAF-UHFFFAOYSA-M- Molecular formula
- C10H19MgO2+
- Average molar mass
- 195.56 g/mol
- Monoisotopic mass
- 195.1235465
Names & identifiers
- Preferred name
- Magnesium neodecanoate
- IUPAC
- magnesium 3,3,5,5-tetramethylhexanoate
- English name
- magnesium neodecanoate
- Molecular formula
- C20H38MgO4
- Molecular weight
- 366.81832
Names & synonyms
Neodecanoic acid, magnesium salt57453-97-1EINECS 260-742-83059FGI677Neodecanoic acid, magnesium salt (2:1)RefChem:800550260-742-8Magnesium neodecanoatemagnesium;3,3,5,5-tetramethylhexanoateUNII-3059FGI677PWHZISRQZCOJAF-UHFFFAOYSA-MNeodecanoic acid,magnesium salt
Show more names
magnesium 3,3,5,5-tetramethylhexanoateMagnesium bis(3,3,5,5-tetramethylhexanoate)
Database identifiers
- CAS
57453-97-1- PubChem CID
- 93673
- EC Number
- 260-742-8
Properties
Computed structural properties
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 158
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Density
- 1.04 · 1.04[at 20℃]
- Water Solubility
- 37.2 g/L · 37.2g/L at 30℃
- Indirect Additives used in Food Contact Substances
- MAGNESIUM NEODECANOATE
- FDA 21 CFR
- 175.3 · 175.300
- FDA UNII
- 3059 FGI677 · 3059FGI677
- EPA Substance Registry System
- Magnesium neodecanoate (57453-97-1)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
- REACH Registrations
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 14.7% (5 of 34) of reports.
Danger
H315 (85.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 34 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Magnesium neodecanoate (EC: 260-742-8)
Hazard Classes and CategoriesSkin Irrit. 2 (85.3%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNeodecanoic acid, magnesium salt (2:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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