Basic information
- CAS
2874-73-9- Standard SMILES
CCCCCCCCCCC(C)(C)C(=O)O- InChIKey
DGMAZGHRQYFPHM-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893014
Names & identifiers
- Preferred name
- 2,2-Dimethyldodecanoic acid
- IUPAC
- 2,2-dimethyldodecanoic acid
- English name
- 2,2-Dimethyldodecanoic acid
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37
Names & synonyms
2,2-dimethyldodecanoic Acid2874-73-9DTXSID40401390RefChem:81088DTXCID70352245866-749-82,2-dimethyllauric acidDIMETHYLDODECANOIC ACIDSCHEMBL891373SCHEMBL278288562,2-DIMETHYLDODECANOICACIDCAA87473
Show more names
Dodecanoic acid, 2,2-dimethyl-alpha,alpha-Dimethyllauric acid
AKOS012709571AT41184DB-047448EN300-118517Z1136505746
Database identifiers
- CAS
2874-73-9- PubChem CID
- 4265726
- DTXSID
DTXSID40401390- EC Number
- 866-749-8
- Nikkaji
- J670.945A
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 27 ℃ · 27℃
- Boiling point
- 320.89 °C · 320.89°C (estimate)
- Density
- 0.8577 · 0.8577 (rough estimate)
- refractive index
- 1.4296 · 1.4296 (estimate)
- pka
- 4.86 · 4.86±0.45(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers6 total
上海遐瑞医药科技有限公司+86 21 61551611
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
上海银林医药科技有限公司15000379094 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
5 records
Compound notes
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