Basic information
- CAS
4371-64-6- Standard SMILES
CCCCCCCCCCCCCCCCC(C(=O)O)C(=O)O- InChIKey
MVDKKZZVTWHVMC-UHFFFAOYSA-N- Molecular formula
- C19H36O4
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.26135963
Names & identifiers
- Preferred name
- Hexadecylmalonic acid
- IUPAC
- 2-hexadecylpropanedioic acid
- English name
- 2-Hexadecyl-malonic acid
- Molecular formula
- C19H36O4
- Molecular weight
- 328.49
Names & synonyms
Hexadecylmalonic acid2-hexadecylpropanedioic acid2-Hexadecylmalonic acidMalonic acid, hexadecyl-Propanedioic acid, hexadecyl-1,1-Heptadecanedicarboxylic acid3CE3FHH4U7EINECS 224-466-1NSC 74095NSC-74095UNII-3CE3FHH4U7DTXSID50195915
Show more names
Cetylmalonic acid2-cetylmalonic acidN-HEXADECYLMALONIC ACIDHexadecylpropanedioic acidn-Hexadecylmalonicacid,97%1,1-HEPTADECANEDICARBOXYLICACID
HEXADECYL PROPANEDIOIC ACIDPROPANEDIOIC ACID, 2-HEXADECYL-RefChem:145989DTXCID90118406224-466-14371-64-62-Hexadecyl-malonic acidNSC74095
Database identifiers
- CAS
4371-64-6- PubChem CID
- 78079
- DTXSID
DTXSID50195915- UNII
- 3CE3FHH4U7
- EC Number
- 224-466-1
- Nikkaji
- J205.749B
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 119 °C · 119 °C
- Boiling point
- 476.8 · 476.8±28.0 °C(Predicted)
- Density
- 0.99 · 0.990±0.06 g/cm3(Predicted)
- pka
- 3.32 · 3.32±0.21(Predicted)
- CAS DataBase Reference
- 4371 · 4371-64-6(CAS DataBase Reference)
- FDA UNII
- 3 CE3FHH4U7 · 3CE3FHH4U7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers7 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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