Hydroxystearyl alcohol

HCID 95421CAS 2726-73-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCC(O)CCCCCCCCCCCO
InChIKey
KHLCTMQBMINUNT-UHFFFAOYSA-N
Molecular formula
C18H38O2
Average molar mass
286.5 g/mol
Monoisotopic mass
286.28718046

Names & identifiers

Preferred name
Hydroxystearyl alcohol
IUPAC
octadecane-1,12-diol
English name
1,12-Octadecanediol
Molecular formula
C18H38O2
Molecular weight
286.49

Names & synonyms

1,12-OctadecanediolOctadecane-1,12-diolhydroxystearyl alcohol12-Hydroxystearyl alcoholUN9IN5VLYELOXANOLNSC-8551EINECS 220-342-6SIMULGREEN 18-2SOVERMOL 912AI3-317731, 12-OCATADECANEDIOL
Show more names
12-HYDROXY STEARYL1,12-Octadecandiol1,12-OCTADECANEDIOL 85%1,12-DIHYDROXYOCTADECANE
DTXSID401036200NSC 8551RefChem:789571DTXCID001470179HYDROXYSTEARYL ALCOHOL [INCI]220-342-62726-73-0Alfol A

Database identifiers

CAS
2726-73-0
PubChem CID
95421
DTXSID
DTXSID401036200
UNII
UN9IN5VLYE
EC Number
220-342-6
Nikkaji
J299.198E

Properties

Computed structural properties

XLogP
7
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
16
Heavy atoms
20

Physicochemical properties

Melting point
79.5 · 79.5-80℃
Boiling point
180 · 180-182 °C(Press: 0.5 Torr)
Density
0.892 · 0.892±0.06 g/cm3(Predicted)
vapor pressure
0 Pa · 0Pa at 20℃
pka
15.2 · 15.20±0.10(Predicted)
Water Solubility
35.01 μg/L · 35.01μg/L at 20℃

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (25 of 25) of all reports.

Not Classified

Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: 1,12-Octadecanediol

Status: Active Update: 08-06-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17479

1,12-Octadecanediol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesNot Classified

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
-
Storage Class
11 - Combustible Solids
REACH Registrations
Inactive

Chemistry & industry

Applications

Uses1,12-Octadecanediol is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

Suppliers22 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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