1-Dodecyl butanedioate
Basic information
- CAS
21668-03-1- Standard SMILES
CCCCCCCCCCCCOC(=O)CCC(=O)O- InChIKey
LWYAUHJRUCQFCX-UHFFFAOYSA-N- Molecular formula
- C16H30O4
- Average molar mass
- 286.41 g/mol
- Monoisotopic mass
- 286.21440944
Names & identifiers
- Preferred name
- 1-Dodecyl butanedioate
- IUPAC
- 4-dodecoxy-4-oxobutanoic acid
- English name
- monolauryl succinate
- Molecular formula
- C16H30O4
- Molecular weight
- 286.41
Names & synonyms
Monolauryl succinate21668-03-1Monododecyl succinateButanedioic acid, monododecyl ester1-Dodecyl butanedioateRefChem:8193214-(dodecyloxy)-4-oxobutanoic acid4-dodecoxy-4-oxobutanoic acidSCHEMBL68473DTXSID40944272AKOS024334021NS00123338
Show more names
Succinic acid monododecyl esterButanedioic acid, 1-dodecyl esterSuccinic acid hydrogen 1-dodecyl ester
Database identifiers
- CAS
21668-03-1- PubChem CID
- 118486
- DTXSID
DTXSID40944272- EC Number
- 606-815-3
- Nikkaji
- J120.621D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 251
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413
- Precautionary statements
- 264 · 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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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