Heptylundecanol
Basic information
- CAS
5333-44-8- Standard SMILES
CCCCCCCCCC(CO)CCCCCCC- InChIKey
YEGNTQBFSQBGJT-UHFFFAOYSA-N- Molecular formula
- C18H38O
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.29226583
Names & identifiers
- Preferred name
- Heptylundecanol
- IUPAC
- 2-heptylundecan-1-ol
- English name
- 2-heptylundecanol
- Molecular formula
- C18H38O
- Molecular weight
- 270.49
Names & synonyms
2-Heptylundecanol2-Heptyl-1-undecanol1-Undecanol, 2-heptyl-5333-44-8Heptylundecanol2-heptylundecyl alcohol1-Undecanol, 2-heptylFINE OXOCOLS1664U32AINSC 2407NSC-2407DIADOL 18GT
Show more names
2-heptylundecan-1-ol
EINECS 226-243-4AI3-22105DTXSID20884147RefChem:783753HEPTYLUNDECANOL [INCI]DTXCID601023613(+-)-2-HEPTYLUNDECYL ALCOHOL2-HEPTYLUNDECYL ALCOHOL, (+-)-
Database identifiers
- CAS
5333-44-8- PubChem CID
- 95338
- DTXSID
DTXSID20884147- UNII
- S1664U32AI
- EC Number
- 226-243-4
- Nikkaji
- J298.016I
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
CosmeticsEmollient; Skin conditioning
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 198 °C · 198 °C
- Density
- 0.8446 g/cm3 · 0.8446 g/cm3(Temp: 15 °C)
- pka
- 15.05 · 15.05±0.10(Predicted)
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONING
- LogP
- 7.815 · 7.815 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1664 U32AI · S1664U32AI
- EPA Substance Registry System
- 1 · 1-Undecanol, 2-heptyl- (5333-44-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
Use ClassificationCosmetics -> Emollient; Skin conditioning
General Manufacturing Information1-Undecanol, 2-heptyl-: INACTIVE
Applications
Uses2-Heptylundecanol is a branched chain aliphatic alcohol which can be used in the synthesis of nano lipid particles[1].
Related reactions
5 records
Compound notes
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