Heneicosanol

HCID 85014

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Basic information

CAS: 15594-90-8
Standard SMILES: CCCCCCCCCCCCCCCCCCCCCO
InChIKey: FIPPFBHCBUDBRR-UHFFFAOYSA-N
Molecular formula: C21H44O
Average molar mass: 312.6 g/mol
Monoisotopic mass: 312.33921602

Overview

Henicosan-1-ol is a long-chain primary fatty alcohol that is henicosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has been isolated from the aerial parts of Siegesbeckia orientalis and from an Italian bread wheat variety, Pegaso, and its 11 near-isogenic lines. It has a role as a plant metabolite. It is a henicosanol and a long-chain primary fatty alcohol.

Names & identifiers

Preferred name: Heneicosanol
IUPAC: henicosan-1-ol
English name: Heneicosanol
Molecular formula: C21H44O
Molecular weight: 312.57

Names & synonyms

1-HeneicosanolHeneicosanolhenicosan-1-olHenicosanolhenicosyl alcoholHeneicosan-1-oln-henicosanolN-HENEICOSANOLHeneicosylalkoholn-Heneikosylalkohol15BB7P0F03EINECS 239-673-2

Show more names

Hecosanol1-HenicosanolHENEICOSANOL(P)

n-C21H43OHUNII-15BB7P0F03CHEBI:78410DTXSID70935330RefChem:145565DTXCID2013639621070970-62-5FIPPFBHCBUDBRR-UHFFFAOYSA-N

Database identifiers

CAS: 15594-90-8
PubChem CID: 85014
DTXSID: DTXSID70935330
ChEBI: CHEBI:78410
UNII: 15BB7P0F03
EC Number: 239-673-2
Nikkaji: J150.259J

Properties

Computed structural properties

XLogP: 10
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 19
Heavy atoms: 22
Formal charge: 0
Complexity: 179

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 68 · 68-71 °C
Boiling point: 170 °C · 170 °C (0.1 mmHg)
Density: 0.8606 · 0.8606 (rough estimate)
refractive index: 1.4405 · 1.4405 (estimate)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: almost transparency in hot Methanol
form: Liquid
pka: 15.2 · 15.20±0.10(Predicted)
color: White
InChI: 1S/C21H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h22H,2-21H2,1H3
InChIKey: FIPPFBHCBUDBRR-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCO

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% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2905.19.9090
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses1-Heneicosanol is a long-chain alcohol with 21 carbon atoms commonly used in the production of surfactants, lubricants and pharmaceuticals. It can be found in various natural sources such as vegetable waxes and insect pheromones. Additionally, it has been shown to be bioactive against plants and animals and has antimicrobial properties.

Suppliers63 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

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

Related reactions

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Compound notes

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