Basic information
- CAS
111-01-3- Standard SMILES
CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C- InChIKey
PRAKJMSDJKAYCZ-UHFFFAOYSA-N- Molecular formula
- C30H62
- Average molar mass
- 422.8 g/mol
- Monoisotopic mass
- 422.48515198
Overview
squalane has been reported in Murraya paniculata with data available.
Names & identifiers
- Preferred name
- Squalane
- IUPAC
- 2,6,10,15,19,23-hexamethyltetracosane
- English name
- Squalane
- Molecular formula
- C30H62
- Molecular weight
- 422.81
Names & synonyms
SQUALANE111-01-32,6,10,15,19,23-HexamethyltetracosanePerhydrosqualeneCosbiolRobaneDodecahydrosqualeneHexamethyltetracosaneSpinacaneVitabiosolTetracosane, 2,6,10,15,19,23-hexamethyl-Hexamethyl tetracosane
Show more names
Synthetic squalaneDermaneNATURAL SQUALANEVegetable SqualaneRomane
Pripure 3759DTXSID0046513NSC-6851GW89575KF9DTXCID8026513footcreamGZE Sweat StickREAROYAFOOTCREAM
Database identifiers
- CAS
111-01-3- PubChem CID
- 8089
- DTXSID
DTXSID0046513- ChEMBL
CHEMBL1552157- UNII
- GW89575KF9
- EC Number
- 203-825-6
- Nikkaji
- J1.982H
Properties
Computed structural properties
- XLogP
- 14.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 21
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Lubricants
Cosmetics
Cosmetic ingredients (Squalane) -> CIR (Cosmetic Ingredient Review)
Skin conditioning; Refatting; Emollient; Hair conditioning
Density0.8115 @ 15°C
Boiling Point350 °C @760 [mm Hg]
Physical Description
Liquid
Liquid; [Merck Index] Colorless viscous liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -38 °C · -38 °C (lit.)
- Boiling point
- 176 °C/0.05 · 176 °C/0.05 mmHg (lit.)
- Density
- 0.81 g/mL · 0.81 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.452(lit.)
- Flash point
- 424 °F · 424 °F
- storage temp.
- 2 · 2-8°C
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
Not Classified
Aggregated GHS information provided per 391 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Tetracosane, 2,6,10,15,19,23-hexamethyl-
Tetracosane, 2,6,10,15,19,23-hexamethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Tetracosane, 2,6,10,15,19,23-hexamethyl- 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)
Status: Active Update: 18-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14412
Squalane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA mild to moderate skin irritant; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
EPA Safer ChemicalChemical: Squalane
Hazard Classes and CategoriesNot Classified
Safety & protection
Protective Action Criteria (PAC)
12 [ppm]
130 [ppm]
790 [ppm]
Toxicology
Toxicity Summary
Chemistry & industry
Uses & manufacturing
Uses
CIR ingredient: Squalane
Made commercially by direct hydrogenation of shark liver oil; Used as a lubricant, transformer oil, and additive to perfumes and drugs; [Merck Index] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
U.S. Production2023: 4,000,000 - <5,500,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 39 consumer products that contain Squalane (Polyquaternium-39) in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Emollients;Skin Conditioning Agents
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Cosmetics -> Skin conditioning; Refatting; Emollient; Hair conditioning
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Tetracosane, 2,6,10,15,19,23-hexamethyl-: ACTIVE
Applications
OccurrenceSqualane is obtained through the hydrogenation of squalene, and can be used as the oily raw materials of balsam, nutritional emulsion and other basic cosmetics. Squalene was obtained from the liver oil of Centrophorus or other deep-sea shark. Initially, it is the byproduct during the Vitamin A production process from shark liver oil. In recent years, it has been found that unsaponifiable oil of olive oil is rich in squalene, which can be used as the raw material of production of squalane (i.e., fully hydrogenated squalene).
Related reactions
11 records
Compound notes
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