Batyl Alcohol

HCID 3681
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
544-62-7
Standard SMILES
CCCCCCCCCCCCCCCCCCOCC(O)CO
InChIKey
OGBUMNBNEWYMNJ-UHFFFAOYSA-N
Molecular formula
C21H44O3
Average molar mass
344.6 g/mol
Monoisotopic mass
344.32904527

Overview

Batilol is an alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent.

Names & identifiers

Preferred name
Batyl Alcohol
IUPAC
3-octadecoxypropane-1,2-diol
English name
Batyl alcohol
Molecular formula
C21H44O3
Molecular weight
344.57

Names & synonyms

BATYL ALCOHOL544-62-7Batilol3-octadecoxypropane-1,2-diol1-O-OctadecylglycerolStearyl monoglyceride1,2-Propanediol, 3-(octadecyloxy)-BatilolumGlycerol monooctadecyl etherGlycerine 1-monostearyl etherMonooctadecyl ether of glycerolGlycerol octadecyl ether
Show more names
1-O-OCTADECYL-RAC-GLYCEROL3-OCTADECYLOXY-1,2-PROPANEDIOLICCB 70985Alkoxy glycerolDL-BATYL ALCOHOLC.1.Batylalcohol3-(Octadecyloxy)
NSC-284200CHEBI:3411739YR661C4URefChem:561112glyceryl 1-octadecyl ether3-octadecyloxy-propane-1,2-diol208-874-73-(octadecyloxy)propane-1,2-diol

Database identifiers

CAS
544-62-7
PubChem CID
3681
DTXSID
DTXSID0047799
ChEMBL
CHEMBL1482516
ChEBI
CHEBI:34117
UNII
39YR661C4U
EC Number
208-874-7
Nikkaji
J6.419J

Properties

Computed structural properties

XLogP
7.6
Topological polar surface area
49.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
20
Heavy atoms
24

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Other Organic Compounds
Cosmetics · 2 items

Cosmetic ingredients (Batyl Alcohol) -> CIR (Cosmetic Ingredient Review)

Emollient

Physical DescriptionGlistening solid; [Merck Index] White powder; [MSDSonline]
Collision Cross Section202.8 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Melting point
71 · 71-73 °C (lit.)
alpha
20 · D20 +1.14° (c = 6.6 in CHCl3)
Boiling point
419.64 °C · 419.64°C (rough estimate)
Density
0.9975 · 0.9975 (rough estimate)
vapor pressure
0 Pa · 0Pa at 25℃
refractive index
1.5192 · 1.5192 (estimate)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H400 (66.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 3-(Octadecyloxy) 1,2 propanediol

Status: Active Update: 18-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27822

1,2-Propanediol, 3-(octadecyloxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesAquatic Acute 1 (66.7%)

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

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
TZ0960000
hs_code
29094990
Signal word
Warning

Chemistry & industry

Uses & manufacturing

Uses · 2 items

CIR ingredient: Batyl Alcohol

Recommended for bracken fern poisoning in cattle; [Merck Index]

Use ClassificationCosmetics -> Emollient
General Manufacturing Information1,2-Propanediol, 3-(octadecyloxy)-: INACTIVE

Applications

UsesBatyl Alcohol is used to synthesize amphiphilic alkylglycerolipids with antitumor activities. It is also used in cosmetic compounds for prevention or treatment of erythema or dermatitis or promotion of wound healing.

Upstream & downstream products

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
南京精维化工有限公司13270709979 · [email protected]

Additional notes

DefinitionChEBI: An alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted to the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent.

Related reactions

4 records
New reaction record

Compound notes

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