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DODECANEDIOICACIDMONOMETHYLESTER

DODECANEDIOICACIDMONOMETHYLESTER structure

CAS No:
3903-40-0
Formula:
C13H24O4
Chemical Name:
DODECANEDIOICACIDMONOMETHYLESTER
Synonyms:
NSC29000;MONOMETHYL-DODECANEDIOATE;Methyl11-Carboxyundecanoate;MonoMethyl1,12-Dodecanedioate;12-keto-12-methoxy-lauricacid;11-CarboMethoxyundecanoicAcid;MONOMETHYLDODECANE-1,12-DIOATE;12-methoxy-12-oxododecanoicacid;DodecanedioicAcid1-MethylEster;12-methoxy-12-oxo-dodecanoicacid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White Solid

DODECANEDIOICACIDMONOMETHYLESTER Basic Attributes

Molecular Weight：

244.33

Exact Mass：

244.167465

NSC Number：

29000

DSSTox ID：

DTXSID60282966

HScode：

2918990090

Characteristics

PSA：

63.6

XLogP3：

3.5

Density：

1.0±0.1 g/cm3

Melting Point：

51.5-52 °C

Boiling Point：

355.3°C at 760 mmHg

Flash Point：

124.3±13.9 °C

Refractive Index：

1.456

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

DODECANEDIOICACIDMONOMETHYLESTER Use and Manufacturing

Methods of Manufacturing

Synthesis of compound 2; To a stirred solution of dimethyl ester 1 (200 g, 774.65 mmol) in diethylether andacetonitrile was added KOH (891.4 mmol) dissolved in MeOH dropwise at 0-5 oc over 1 hourand the reaction mixture was stirred at the same temperature for additional 48 hours. Filtered thewhite solid using sintered funnel followed by washing it with diethylether (100 mL) and suctiondried for 3 hour. The above obtained white solid was dissolved in water (500 mL) followed byacidification with 1N HCl to pH -3-4 and the white solid was collected by filteration followedby washing it with water (50 mL x 2). This material was air dried for one day followed bydrying in the presence of P20 5 gave the product 2 (166 g, 88 percent) as white powder.4, 6 g (20 mMol) Dodekandisaeure werden unter Erwaermen in 40 ml trockenem THF geloest, mit 0, 73 ML (10 mMol) Thionylchlorid langsam versetzt und 30 min bei , RT GERueHRT. Anschliessend werden 0, 8 ml (20 mMol) trockenes Methanol langsam zugegeben und 4 h bei RT geruehrt ; der Ansatz bleibt dann 4 Tage bei RT stehen. Das DC zeigt anschliessend keine weitere Umsetzung ; das Reaktionsgemisch wird im Vakuum eingeengt, der Rueckstand wird in Wasser verruehrt (Ultraschallbad). Der Niederschlag wird abgesaugt, mit Wasser gewaschen und erneut abgesaugt. Der feuchte Rueckstand wird in Dichlormethan verruehrt (Ultraschallbad), ueber ein Faltenfilter filtriert, mit Dichlormethan gewaschen und das Filtrat wird im Vakuum eingeengt. Man erhaelt den DODEKANDISaeUREMONOMETHYLESTER (3, 09 g) in einer Ausbeute von 63percent. MG : 244, 34 ; MS : 245, 4 (M+H+).

Uses

Used in cosmetic composition

Computed Properties

Molecular Weight:244.33
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:244.16745924
Monoisotopic Mass:244.16745924
Topological Polar Surface Area:63.6
Heavy Atom Count:17
Complexity:214
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Dodecanedioic acid 1-methyl ester

CAS No.: 3903-40-0

Content: 99.00%

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Monomethyl dodecanedioate factory direct white raw powder high quality

CAS No.: 3903-40-0

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Monomethyl dodecanedioate

CAS No.: 3903-40-0

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Guide of DODECANEDIOICACIDMONOMETHYLESTER

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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