CAS 623-69-8 1,3-Dimethoxy-2-propanol (HCID 12190)

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Basic information

CAS: 623-69-8
Standard SMILES: COCC(O)COC
InChIKey: ZESKRVSPQJVIMH-UHFFFAOYSA-N
Molecular formula: C5H12O3
Average molar mass: 120.15 g/mol
Monoisotopic mass: 120.07864424

Names & identifiers

Preferred name: 1,3-Dimethoxy-2-propanol
IUPAC: 1,3-dimethoxypropan-2-ol
English name: 1,3-Dimethoxy-2-propanol
Molecular formula: C5H12O3
Molecular weight: 120.15

Names & synonyms

1,3-DIMETHOXY-2-PROPANOLRefChem:414506801-583-11,3-dimethoxypropan-2-ol623-69-82-Propanol, 1,3-dimethoxy-Glycerin 1,3-dimethyl etherGlycerol 1,3-dimethyl etherMFCD01076303A0JF0DT9XKNSC263483NSC-263483

Show more names

1,3-DiMethoxy-2-prop3-Dimethoxy-2-propanolglycerin dimethyl ether1,3-dimethoxy-2-propano2-Propanol,1,3-dimethoxy-glycerol,1,3-dimethyletherGlycerol α,γ-dimethyl etherGlyceryl-1,3-dimethyl ether

1,3-dimethoxy-propan-2-olglycerol-1,3-dimethyl ether1,3-dimethoxy-2-hydroxypropaneUNII-A0JF0DT9XKAI3-03551BCP317202-Propanol,3-dimethoxy-A8628

Database identifiers

CAS: 623-69-8
PubChem CID: 12190
DTXSID: DTXSID30211364
UNII: A0JF0DT9XK
EC Number: 801-583-1
Nikkaji: J6.846B

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 40

Physicochemical properties

Boiling point: 169 °C · 169°C (estimate)
Density: 1.0085 · 1.0085
refractive index: 1.4192 · 1.4192
storage temp.: Sealed in dry,Room Temperature
pka: 13.68 · 13.68±0.20(Predicted)
form: liquid
color: Colourless
Cosmetics Ingredients Functions: HAIR CONDITIONING
CAS DataBase Reference: 623 · 623-69-8(CAS DataBase Reference)
FDA UNII: 0 JF0DT9XK · A0JF0DT9XK
NIST Chemistry Reference: 2 · 2-Propanol, 1,3-dimethoxy-(623-69-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H336 (33.3%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；STOT SE 3 (33.3%)

Safety data

ridadr: 1987
hs_code: 2909498090
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 16
Hazard statements: H302+H312+H332-H315-H319-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications

Uses1,3-Dimethoxy-2-propanol is a possbile antiknock additive for gasoline and diesel fuel. It is also used to prepare heteroarylcarbamoylbenzene derivatives as glucokinase activators.