CAS 9035-85-2 3-(Hexadecyloxy)propan-1-ol (HCID 165753)

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Basic information

CAS: 9035-85-2
Standard SMILES: CCCCCCCCCCCCCCCCOCCCO
InChIKey: YDCSFYSJEYSCBP-UHFFFAOYSA-N
Molecular formula: C19H40O2
Average molar mass: 300.5 g/mol
Monoisotopic mass: 300.30283052

Overview

See also: PPG-30 Cetyl ether (annotation moved to); Hexadecan-1-ol, propoxylated (annotation moved to); Polyoxypropylene cetyl ether (annotation moved to).

Names & identifiers

Preferred name: 3-(Hexadecyloxy)propan-1-ol
IUPAC: 3-hexadecoxypropan-1-ol
English name: PPG-10 CETYL ETHER
Molecular formula: C19H40O2
Molecular weight: 300.5197

Names & synonyms

3-(hexadecyloxy)propan-1-olDTXSID30864172RefChem:1067157DTXCID3081271923377-40-43-hexadecoxypropan-1-ol3-(hexadecyloxy)-1-propanol9035-85-21-Propanol, 3-(hexadecyloxy)-MFCD001714833-hexadecyloxy-1-propanol1-O-Hexadecyl-1,3-propandiol

Show more names

PPG-50 CETYL ETHERPPG-30 CETYL ETHERPPG-28 CETYL ETHERPPG-20 CETYL ETHERPPG-10 CETYL ETHER.alpha.-hexadecyl-.omega.-hydroxy-Poly[oxy(methyl-1,2-ethanediyl)]Polyoxy(methyl-1,2-ethanediyl), .alpha.-hexadecyl-.omega.-hydroxy-

C19H40O21-O-HEXADECYL-PROPANEDIOL-(1,3)3-(hexadecyloxy)3-hexadecyloxypropan-1-ol(hexadecyloxy)-3-propanolSCHEMBL97429SCHEMBL155187

Database identifiers

CAS: 9035-85-2
PubChem CID: 165753
DTXSID: DTXSID30864172

Properties

Computed structural properties

XLogP: 7.5
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 18
Heavy atoms: 21
Formal charge: 0
Complexity: 171

Experimental & physicochemical properties

CosmeticsEmulsifying; Surfactant; Emollient; Skin conditioning

FragrancesFragrance Ingredient (Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-hexadecyl-.omega.-hydroxy-) -> IFRA transparency List

Physical DescriptionCBI

Physicochemical properties

Odor: 100 % · at 100.00%. bland
Cosmetics Ingredients Functions: SKIN CONDITIONING
LogP: 7.359 · 7.359 (est)
EWG's Food Scores: 1 · 1
FDA UNII: -30 CETYL · PPG-30 CETYL ETHER (00C2W8NVII)PPG-10 CETYL ETHER (Q056X4917J)
EPA Substance Registry System: Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-hexadecyl-.omega.-hydroxy- (9035-85-2)
TSCA: TSCA listed

Safety & regulation

Hazard information

Regulatory Information · 4 items

Chemical: Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-hexadecyl-.omega.-hydroxy-

Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-hexadecyl-.omega.-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-hexadecyl-.omega.-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.

Polyoxy(methyl-1,2-ethanediyl), .alpha.-hexadecyl-.omega.-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Propoxylates of aliphatic alcohols (C â¥6): Human health tier II assessment