2-[2-(Hexyloxy)ethoxy]ethanol (HCID 8199)

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Basic information

Standard SMILES: CCCCCCOCCOCCO
InChIKey: GZMAAYIALGURDQ-UHFFFAOYSA-N
Molecular formula: C10H22O3
Average molar mass: 190.283 g/mol
Monoisotopic mass: 190.15689456

Names & identifiers

Preferred name: 2-[2-(Hexyloxy)ethoxy]ethanol
IUPAC: 2-[2-(Hexyloxy)ethoxy]ethan-1-ol
English name: 2-(2-HEXYLOXYETHOXY)ETHANOL
Molecular formula: C10H22O3
Molecular weight: 190.28

Names & synonyms

HEDGdegheHexyl carbitol2-(2-N-HEXYLOXYETHOXY)ETHANOLC6E2hexyldigolNSC 403666HexylkarbitolhexylcarbitolHEXYLDIGLYCOL

Database identifiers

CAS: 112-59-4
PubChem CID: 8199
DTXSID: DTXSID4026921
ChEMBL: CHEMBL2131110
UNII: Z6X09N6YJL
EC Number: 203-988-3
Nikkaji: J36.821K

Properties

Physicochemical properties

Melting point: -40 °C · -40 °C (lit.)
Boiling point: 260 °C · 260 °C (lit.)
Density: 0.935 g/mL · 0.935 g/mL at 25 °C (lit.)
vapor pressure: 0.01 hPa · <0.01 hPa (20 °C)
refractive index: 20 · n20/D 1.4381(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
solubility: 17 g/l · 17g/l
pka: 14.37 · 14.37±0.10(Predicted)
form: clear liquid
color: Colorless to Light yellow
PH: 5 · 5-7 (200g/l, H2O, 20℃)
explosive limit: 1.1 · 1.1-6.3%(V)
Water Solubility: Soluble in water.
Sensitive: Hygroscopic
BRN: 1743959 · 1743959
Henry's Law Constant: 5.7 · 5.7×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI: 1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3
InChIKey: GZMAAYIALGURDQ-UHFFFAOYSA-N
SMILES: CCCCCCOCCOCCO
LogP: 1.7 · 1.7
CAS DataBase Reference: 112 · 112-59-4(CAS DataBase Reference)
FDA UNII: 6 X09N6YJL · Z6X09N6YJL
EPA Substance Registry System: Diethylene glycol monohexyl ether (112-59-4)
UNSPSC Code: 12352104 · 12352104
NACRES: 23 · NA.23
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 312 · H312-H318
Precautionary statements: 280 · P280-P302+P352+P312-P305+P351+P338-P362+P364-P501
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 21 · 21-41-38
Safety Statements: 26 · 26-36/37-46-36/37/39
WGK Germany: 1 · 1
RTECS: 2625000 · KL2625000
Autoignition Temperature: 210 °C · 210 °C
TSCA: TSCA listed
HS Code: 29094400 · 29094400
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 DermalEye · Acute Tox. 4 DermalEye Dam. 1
Hazardous Substances Data: 112 · 112-59-4(Hazardous Substances Data)
Toxicity: 50 orally · LD50 orally in Rabbit: 2400 mg/kg LD50 dermal Rabbit 1395 mg/kg
REACH Registrations: Active

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 1
tsca: TSCA listed
rtecs: KL2625000
hs_code: 29094400
Toxicity: LD50 orally in Rabbit: 2400 mg/kg LD50 dermal Rabbit 1395 mg/kg
risk_code: 21-41-38
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn
safety_code: 26-36/37-46-36/37/39
Storage Class: 10 - Combustible liquids
Hazard statements: H312-H318
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 DermalEye Dam. 1
Autoignition Temperature: 210 °C
Precautionary statements: P280-P302+P352+P312-P305+P351+P338-P362+P364-P501
Hazardous Substances Data: 112-59-4(Hazardous Substances Data)

Chemistry & industry

Applications

UsesUsed as a solvent for coatings and degreasing.

General DescriptionWater-white liquid.

Upstream & downstream products

Upstream raw materials

Suppliers50 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]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

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