Basic information
- Standard SMILES
CC(C)CCCCCCCCCCCCCCCO- InChIKey
WNWHHMBRJJOGFJ-UHFFFAOYSA-N- Molecular formula
- C18H38O
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.29226584
Overview
16-methylheptadecan-1-ol is a long-chain primary fatty alcohol that is heptadecan-1-ol substituted by a hydroxy group at position 1 and a methyl group at position 16. It is functionally related to a heptadecan-1-ol. It derives from a hydride of a heptadecane.
Names & identifiers
- Preferred name
- Isostearyl Alcohol EX
- IUPAC
- 16-methylheptadecan-1-ol
- English name
- Isostearyl alcohol
- Molecular formula
- C18H38O
- Molecular weight
- 270.49
Names & synonyms
16-Methylheptadecan-1-ol41744-75-616-methylheptadecanol1-Heptadecanol, 16-methyl-W29XHH208CIsostearyl Alcohol EXCHEBI:84911RefChem:1087832255-529-1Isostearyl alcoholIsooctadecanol27458-93-1
Show more names
Pro-xylaneisostearylAldo 66Fine oxocolJARCOL 1-18TJARCOL I-18TJARCOL I-18EXJARCOL 1-18CGOCTYL DECANOL
isostearylalcoholIsooctadecyl alcohol16-METHYL-1-HEPTADECANOLIsostearyl alcohol [USAN]Isostearyl alcohol (USAN)Isooctadecan-1-olEINECS 248-470-8UNII-Q613OCQ44Y
Database identifiers
- CAS
27458-93-1、41744-75-6- PubChem CID
- 62825
- DTXSID
DTXSID80892268- ChEMBL
CHEMBL2107291- ChEBI
CHEBI:84911- UNII
- W29XHH208C
- EC Number
- 248-470-8、255-529-1
- Nikkaji
- J278.263D
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
- 154
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
Cosmetics
Cosmetic ingredients (Isostearyl Alcohol) -> CIR (Cosmetic Ingredient Review)
Emollient; Skin conditioning; Viscosity controlling
FragrancesFragrance Ingredient (Isooctadecan-1-ol) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 343 ℃[at · 343℃[at 101 325 Pa]
- refractive index
- 20 · n20/D 1.451
- pka
- 15.8 · 15.8[at 20 ℃]
- Viscosity
- 30.79 mm2/s · 30.79mm2/s
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGVISCOSITY CONTROLLING
- Cosmetic Ingredient Review (CIR)
- Isostearyl alcohol (27458-93-1)
- InChI
- InChI=1S/C18H38O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3-17H2,1-2H3
- InChIKey
- WNWHHMBRJJOGFJ-UHFFFAOYSA-N
- SMILES
- C(CCCCC(C)C)CCCCCCCCCCO
- LogP
- 7.815 · 7.815 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 613 OCQ44Y · Q613OCQ44Y
- EPA Substance Registry System
- Isooctadecanol (27458-93-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H412
- Precautionary statements
- 273 · P273-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 1 · 1
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 80.3% (1452 of 1809) of all reports.
Warning
H315 (10.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1809 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Isooctadecanol
Chemical: 1-Heptadecanol, 16-methyl-
Isooctadecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isooctadecanol 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: 30-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/5497
Isooctadecanol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummarySee 1-Dodecanol and 1-Docosanol.
Hazard Classes and CategoriesSkin Irrit. 2 (10.9%)
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- wgk
- 1
- tsca
- TSCA listed
- risk_code
- 36/37/38-38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Isostearyl Alcohol
U.S. Production2023: <75,000 lb
Consumer UsesLubricating agent
Industry UsesLubricating agent
Household ProductsInformation on 9 consumer products that contain Isostearyl alcohol in the following categories is provided:
Use Classification
Fragrance Ingredients
Cosmetics -> Emollient; Skin conditioning; Viscosity controlling
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Isooctadecanol: ACTIVE
1-Heptadecanol, 16-methyl-: INACTIVE
Applications
Usesisostearyl alcohol is an emollient and viscosity builder derived from isostearic acid. It gives the skin a silky feel after product application.
UsesIsostearylalcohol can be used as an aerosol type hair dye or bleach composition.
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 16-methylheptadecan-1-ol is a long-chain primary fatty alcohol that is heptadecan-1-ol substituted by a hydroxy group at position 1 and a methyl group at position 16. It is functionally related to a heptadecan-1-ol. It derives from a hydride of a heptadecane.
Related reactions
18 records
Linked notes
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