1,2-Tetradecanediol

HCID 89436

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Basic information

CAS: 21129-09-9
Standard SMILES: CCCCCCCCCCCCC(O)CO
InChIKey: DWANEFRJKWXRSG-UHFFFAOYSA-N
Molecular formula: C14H30O2
Average molar mass: 230.39 g/mol
Monoisotopic mass: 230.2245802

Overview

1,2-tetradecanediol is a glycol that is tetradecane bearing two hydroxy substituents located at positions 1 and 2. It is a glycol and a tetradecanediol.

Names & identifiers

Preferred name: 1,2-Tetradecanediol
IUPAC: tetradecane-1,2-diol
English name: 1,2-Tetradecanediol
Molecular formula: C14H30O2
Molecular weight: 230.39

Names & synonyms

Tetradecane-1,2-diol1,2-TetradecanediolMyristyl glycolXJ32081WYOUNII-XJ32081WYOtetradecylene glycolCHEBI:84951N-TETRADECANE-1,2-DIOLAI3-13104EINECS 244-228-0NSC 71507NSC-71507

Show more names

TetradecanediolUNII:XJ32081WYO1,2-DIHYDROXYTETRADECANE

MYRISTYL GLYCOL [INCI]1,2-TETRADECYLENE GLYCOLRefChem:72142(+-)-MYRISTYL GLYCOLMYRISTYL GLYCOL, (+-)-DWANEFRJKWXRSG-UHFFFAOYSA-N21129-09-9NSC71507

Database identifiers

CAS: 21129-09-9
PubChem CID: 89436
DTXSID: DTXSID501021933
ChEBI: CHEBI:84951
UNII: XJ32081WYO
EC Number: 244-228-0
Nikkaji: J104.774D

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 12
Heavy atoms: 16
Formal charge: 0
Complexity: 126

Experimental & physicochemical properties

CosmeticsCosmetic ingredients (Myristyl Glycol) -> CIR (Cosmetic Ingredient Review)

Physicochemical properties

Melting point: 67 °C · 67 °C
Boiling point: 295.95 °C · 295.95°C (rough estimate)
Density: 0.9036 · 0.9036 (rough estimate)
refractive index: 1.4674 · 1.4674 (estimate)
storage temp.: 2 · 2-8°C
form: powder to crystal
pka: 14.45 · 14.45±0.20(Predicted)
color: White to Almost white
BRN: 1748243 · 1748243
Cosmetics Ingredients Functions: HAIR CONDITIONINGSKIN CONDITIONING - EMOLLIENTVISCOSITY CONTROLLINGSURFACTANT - FOAM BOOSTING
InChI: 1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h14-16H,2-13H2,1H3
InChIKey: DWANEFRJKWXRSG-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCC(O)CO
LogP: 4.596 · 4.596 (est)
CAS DataBase Reference: 21129 · 21129-09-9(CAS DataBase Reference)
FDA UNII: 32081 WYO · XJ32081WYO
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
HS Code: 2905.39 · 2905.39.9000
Storage Class: 11 · 11 - Combustible Solids

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 · 3 items

This chemical does not meet GHS hazard criteria for 100% (24 of 24) of all reports.

Not Classified

Aggregated GHS information provided per 24 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: 1,2-Tetradecanediol

Hazard Classes and CategoriesNot Classified

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
hs_code: 2905.39.9000
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Myristyl Glycol

Applications

Uses1,2-Dihydroxytetradecane is used in method for producing 1,2-Alkane Diols in a solid dosage form.

Suppliers82 total

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]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Additional notes

DefinitionChEBI: A glycol that is tetradecane bearing two hydroxy substituents located at positions 1 and 2.

Related reactions

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Compound notes

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