1,2-Hexadecanediol

HCID 98037
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
6920-24-7
Standard SMILES
CCCCCCCCCCCCCCC(O)CO
InChIKey
BTOOAFQCTJZDRC-UHFFFAOYSA-N
Molecular formula
C16H34O2
Average molar mass
258.44 g/mol
Monoisotopic mass
258.25588033

Overview

1,2-hexadecanediol is a glycol that is hexadecane which is substituted by hydroxy groups at positions 1 and 2. It derives from a hydride of a hexadecane.

Names & identifiers

Preferred name
1,2-Hexadecanediol
IUPAC
hexadecane-1,2-diol
English name
1,2-Hexadecanediol
Molecular formula
C16H34O2
Molecular weight
258.44

Names & synonyms

1,2-Hexadecanediol6920-24-7Cetyl glycol1H07JK4G0CNSC-71525CHEBI:75586DTXSID60884343RefChem:72092DTXCID801023790230-030-1Hexadecane-1,2-diol1,2-Dihydroxyhexadecane
Show more names
Hexadecan-1,2-diol1,2-Hexadecanediol>2-Hydroxycetyl alcohol1,2-Hexadecylene glycol1,2-Hexadecanediol ,90%
MFCD00004727UNII-1H07JK4G0CEINECS 230-030-1NSC 71525AI3-14193NSC715251,2-palmityl diol1,2-hexadecyl diol

Database identifiers

CAS
6920-24-7
PubChem CID
98037
DTXSID
DTXSID60884343
ChEBI
CHEBI:75586
UNII
1H07JK4G0C
EC Number
230-030-1
Nikkaji
J265.955G

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
14
Heavy atoms
18

Experimental & physicochemical properties

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

Cosmetic ingredients (Cetyl Glycol) -> CIR (Cosmetic Ingredient Review)

Hair conditioning; Emollient

Physical DescriptionWhite solid; Slightly soluble in water; [MSDSonline]

Physicochemical properties

Melting point
68 · 68-72 °C (lit.)
Boiling point
310.3 °C · 310.3°C (rough estimate)
Density
0.8878 · 0.8878 (rough estimate)
refractive index
1.4731 · 1.4731 (estimate)
Flash point
183 °C · 183 °C
storage temp.
2 · Storage temp. 2-8°C

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Regulatory Information · 3 items

Chemical: 1,2-Hexadecanediol

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

1,2-hexadecane diol: 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 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
1
tsca
TSCA listed
hs_code
29053990
safety_code
22-24/25
Storage Class
11 - Combustible Solids

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Cetyl Glycol
Use ClassificationCosmetics -> Hair conditioning; Emollient
General Manufacturing Information1,2-Hexadecanediol: ACTIVE
Applications · 1 item

Uses1,2-Hexadecanediol was used as reducing agent in the preparation of silver nanocrystals from a dichlorobenzene solution containing oleyl amine as a surfactant. It was also used in the preparation of:Au-Fe3O4 hetero-dimersiron pyrite nanocrystalsmonodisperse iron platinum nanoparticles

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

Additional notes

DefinitionChEBI: A glycol that is hexadecane which is substituted by hydroxy groups at positions 1 and 2.

Related reactions

12 records
New reaction record

Compound notes

Loading…