2-(Tert-butoxy)ethan-1-ol

HCID 24232

Basic information

CAS
7580-85-0
Standard SMILES
CC(C)(C)OCCO
InChIKey
BDLXTDLGTWNUFM-UHFFFAOYSA-N
Molecular formula
C6H14O2
Average molar mass
118.17 g/mol
Monoisotopic mass
118.09937969

Names & identifiers

Preferred name
2-(Tert-butoxy)ethan-1-ol
IUPAC
2-[(2-methylpropan-2-yl)oxy]ethanol
English name
ETHYLENE GLYCOL MONO-TERT-BUTYL ETHER
Molecular formula
C6H14O2
Molecular weight
118.17

Names & synonyms

2-tert-ButoxyethanolEthylene glycol mono-tert-butyl ether2-(Tert-Butoxy)Ethan-1-OlRefChem:462307456-140-1616-267-77580-85-0Swasolve ETBEthanol, 2-(1,1-dimethylethoxy)-tert-Butyl CellosolveETHYLENEGLYCOLMONO-TERT-BUTYLETHER2-(1,1-Dimethylethoxy)ethanol
Show more names
Ethylene Glycol Tertiary butyl etherMono-tert-butyL2-tert-butoxy-ethanoEthanol,2-(1,1-dimethylethoxy)-ETHYLENE GLYCOL MONO-T-BUTYL ETHERswasolveetbHO-CH2CH2O-t-BuTERT-BUTOXYETHANO2-(t-Butoxy)ethanol
2-[(2-methylpropan-2-yl)oxy]ethanolEthylene glycol mono-tert-buthyl etherEthanol, 2-tert-butoxy-2-(tert-butoxy)ethanol2-t-butoxyethanolMFCD0005900463663-09-2BRN 1732678

Database identifiers

CAS
7580-85-0
PubChem CID
24232
DTXSID
DTXSID4073384
EC Number
456-140-1、616-267-7
Nikkaji
J49.824F

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
8

Physicochemical properties

Boiling point
152 °C · 152 °C
Density
0 · 0,9 g/cm3
refractive index
1.416 to · 1.4160 to 1.4190
Flash point
55 °C · 55°C
storage temp.
Sealed in dry,Room Temperature
Water Solubility
Completely miscible in water

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H226 (71.4%): Flammable liquid and vapor [Warning Flammable liquids];H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (42.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (28.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Active Update: 11-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30055;Status: Active Update: 14-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/8735
Hazard Classes and Categories · 3 items

Flam. Liq. 3 (71.4%);Acute Tox. 4 (28.6%);Skin Irrit. 2 (42.9%);Eye Irrit. 2A (42.9%);STOT SE 3 (42.9%);STOT RE 2 (28.6%)

Flam. Liq. 3 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Dam. 1 (100%);Acute Tox. 3 (100%);STOT SE 3 (100%);STOT RE 1 (100%)

Flammable liquids - Category 3;Specific target organ toxicity - Single exposure - Category 3 (Narcotic effects);Specific target organ toxicity - Repeated exposure - Category 1 (blood system)

Regulatory information

Regulatory InformationStatus: Active Update: 11-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30055;Status: Active Update: 14-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/8735

Safety data

rtecs
KJ8750000
ridadr
3271
hs_code
2909498090
risk_code
10-36/37/38
Signal word
Danger
Symbol(GHS)
GHS02,GHS07,GHS08

Chemistry & industry

Applications

Uses2-(1,1-Dimethylethoxy)ethanol is used in the preparation of potent and selective NPY5 receptor antagonists. Also used in the synthesis of PDE5 inhibitors, used to block the degradative action of phosphodiesterase 5.

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南新晨化工有限公司15318808971 15318808971
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Related reactions

35 records

Compound notes

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