2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanol
Basic information
- CAS
131175-15-0- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCO)CCC4(C)C3CCC12C- InChIKey
NPYXBHZQVNRAOF-UHFFFAOYSA-N- Molecular formula
- C29H50O2
- Average molar mass
- 430.7 g/mol
- Monoisotopic mass
- 430.38108083
Overview
See also: Choleth-24 (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- 2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanol
- IUPAC
- 2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanol
- English name
- CHOLETH-10
- Molecular formula
- (C2H4O)nC27H46O
- Molecular weight
- 430.7061
Names & synonyms
27321-96-62-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanol30788-35-3PEG-cholesterolSCHEMBL29355804DTXSID209271042-(Cholest-5-en-3-yloxy)ethanolCl-4494NSC226875AKOS024434643NSC-226875DA-49287
Show more names
CHOLETHCHOLETH-20CHOLETH-10CHOLETH-24Chol-PEG600POLYOXYETHYLENE32CHOLESTERYLETHERPOLYOXYETHYLENE24CHOLESTEROLETHERPolyethyleneglycol cholesteryl etherpolyoxyethylene-24-cholesteryl ether5-Cholestene-3.beta.-polyethyleneoxide
2-[(Cholest-5-en-3-yl)oxy]ethan-1-olNS00013463131175-15-02-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13- dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[ a]phenanthren-3-yl]oxy]ethanol
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 639
Experimental & physicochemical properties
CosmeticsSurfactant; Emulsifying
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- form
- methylene chloride solution
- Cosmetics Ingredients Functions
- SURFACTANT - CLEANSINGSURFACTANT - EMULSIFYING
- Cosmetic Ingredient Review (CIR)
- -10 · CHOLETH-10 (27321-96-6)
- InChI
- 1S/C29H50O2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(31-18-17-30)13-15-28(22,4)27(24)14-16-29(25,26)5/h9,20-21,23-27,30H,6-8,10-19H2,1-5H3
- InChIKey
- NPYXBHZQVNRAOF-UHFFFAOYSA-N
- SMILES
- O(C1CCC2(C3C(C4C(C(CC4)C(CCCC(C)C)C)(CC3)C)CC=C2C1)C)CCO
- LogP
- 9.798 · 9.798 (est)
- EWG's Food Scores
- 1 · 1-2
- FDA UNII
- -24 · CHOLETH-24 (5UE7I54O43)CHOLETH-10 (3X5AQ16H0T)CHOLETH-15 (6M3N1O1FTG)CHOLETH-5 (XD018FA67L)CHOLETH-20 (TTL8TE641X)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 441 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 2
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- target organs
- Central nervous system
- Hazard statements
- H302
- Hazard Classifications
- Carc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Surfactant; Emulsifying
Applications
UsesChol-PEG is a nonionic surfactant vesicles and can be used for a blood-persistent drug delivery system[1][2].
Related reactions
1 records
Compound notes
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