1,4,7,10,13-Pentaoxacyclopentadecane-2-methanol

HCID 2733744

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Basic information

CAS: 75507-25-4
Standard SMILES: OCC1COCCOCCOCCOCCO1
InChIKey: YHIQMMGCRYKJLB-UHFFFAOYSA-N
Molecular formula: C11H22O6
Average molar mass: 250.29 g/mol
Monoisotopic mass: 250.14163842

Names & identifiers

Preferred name: 1,4,7,10,13-Pentaoxacyclopentadecane-2-methanol
IUPAC: 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol
English name: 2-HYDROXYMETHYL-15-CROWN-5
Molecular formula: C11H22O6
Molecular weight: 250.29

Names & synonyms

2-Hydroxymethyl-15-crown-51,4,7,10,13-Pentaoxacyclopentadecane-2-methanolEINECS 278-222-4RefChem:415813278-222-475507-25-4(1,4,7,10,13-Pentaoxacyclopentadecan-2-yl)methanol2-(Hydroxymethyl)-15-crown 5-Ether1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanolMFCD00192215DTXSID40996978AS-58791

Show more names

Hydroxy-15-crown-52-Hydroxymethyl-15-crown-5,96%2-(Hydroxymethyl)-15-crown5-Ether>2-(Hydroxymethyl)-15-crown-5-ether 96%1,4,7,10,13-Pentaoxacyclopentadecane-3-methanol

H09831,4,7,10,13-pentaoxacyclopentadec-2-yl-methanol2-(Hydroxymethyl)-15-crown-5-etherFT-0608816SCHEMBL1246485YHIQMMGCRYKJLB-UHFFFAOYSA-N2-Hydroxymethyl-15-crown-5, 95%AKOS015912567

Database identifiers

CAS: 75507-25-4
PubChem CID: 2733744
DTXSID: DTXSID40996978
EC Number: 278-222-4
Nikkaji

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 166

Physicochemical properties

Boiling point: 135 °C/1.5 · 135 °C/1.5 mmHg (lit.)
Density: 1.175 g/mL · 1.175 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.479(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Liquid
Specific Gravity: 1.17 · 1.17
color: Colorless to Light yellow to Light orange
Water Solubility: Soluble in water(58 g/L) (25°C).
BRN: 3589706 · 3589706
InChI: 1S/C11H22O6/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11-12H,1-10H2
InChIKey: YHIQMMGCRYKJLB-UHFFFAOYSA-N
SMILES: OCC1COCCOCCOCCOCCO1
CAS DataBase Reference: 75507 · 75507-25-4(CAS DataBase Reference)
UNSPSC Code: 12352005 · 12352005

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29329990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Hydroxymethyl-15-crown-5 is used for chemical research.

Suppliers54 total

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]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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

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Compound notes

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