Basic information
- CAS
40596-46-1- Standard SMILES
CCCCCCCCCCC(CCCCCCCC)C(=O)O- InChIKey
KUIYXYIWGVFQPD-UHFFFAOYSA-N- Molecular formula
- C20H40O2
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.30283051
Names & identifiers
- Preferred name
- Dodecanoic acid, 2-octyl-
- IUPAC
- 2-octyldodecanoic acid
- English name
- 2-octyldodecanoic acid
- Molecular formula
- C20H40O2
- Molecular weight
- 312.53
Names & synonyms
2-Octyldodecanoic acidDodecanoic acid, 2-octyl-2-Octyllauric acidEINECS 254-992-7DTXSID60885810RefChem:135446DTXCID101025171254-992-7KUIYXYIWGVFQPD-UHFFFAOYSA-N40596-46-1MFCD006740952-Octyldodecanoic acid #
Show more names
Isocarb 202-Dctyldodecanoic acidC20 Guerbet fatty acid
2-octyl-1-dodecanoic acidSCHEMBL246712SY461881NS00059195I80694
Database identifiers
- CAS
40596-46-1- PubChem CID
- 170397
- DTXSID
DTXSID60885810- EC Number
- 254-992-7
- Nikkaji
- J294.713G
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 429.4 · 429.4±13.0 °C(Predicted)
- Density
- 0.883 · 0.883±0.06 g/cm3(Predicted)
- pka
- 4.81 · 4.81±0.40(Predicted)
- LogP
- 8.693 · 8.693 (est)
- EPA Substance Registry System
- 2 · 2-Octyllauric acid (40596-46-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
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 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationDodecanoic acid, 2-octyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDodecanoic acid, 2-octyl-: INACTIVE
Suppliers10 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
绵阳菁华科技有限公司17378635159 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
BOC Sciences[email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
杭州海蓝化工有限公司+86-57156122185 +86-15967590394 · [email protected]
Related reactions
1 records
Compound notes
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