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Dodecanoyl chloride

Dodecanoyl chloride structure

CAS No:
112-16-3
Formula:
C12H23ClO
Chemical Name:
Dodecanoyl chloride
Synonyms:
Dodecanoyl chloride;Lauroyl chloride;Lauric acid chloride;n-Dodecanoyl chloride;Dodecanoic acid chloride;Dodecanoic acid,anhydride with carbonochloridic acid;1246204-29-4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

colourless to light yellow liquid

DryPowder; Liquid

Dodecanoyl chloride Basic Attributes

Molecular Weight：

218.76

Exact Mass：

218.76

BRN：

1281201

EC Number：

203-941-7

UNII：

9LHL10777I

DSSTox ID：

DTXSID5044368

Color/Form：

WATER-WHITE LIQUID

HScode：

29159080

Characteristics

PSA：

17.1

XLogP3：

5.2

Appearance：

Clear Liquid

Density：

0.946 g/mL at 25 °C(lit.)

Melting Point：

-17 °C

Boiling Point：

145 °C @ Press: 18 Torr

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.445

Water Solubility：

Solubility in water: reaction.;soluble in ethanol and methanol.

Storage Conditions：

−20°C

Toxicity：

LD50 orally in Rabbit: 200 - 2000 mg/kg

Experimental Properties：

DECOMP IN WATER, ALCOHOL

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

34-37-29-22-14

safety instructions：

26-36/37/39-45-8

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents, amines, strong bases. Do not allow to come into contact with water or moisture.

Precautionary statement(s)：

P234, P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P390, P404, P405, P501

Hazard Statements：

H290

GHS Classification：

|Danger|H290 (31.12%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P390, P404, P405, and P501|Aggregated GHS information provided by 196 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Dodecanoyl chloride Use and Manufacturing

Methods of Manufacturing

Derived from the reaction of lauric acid and thionyl chloride. Thionyl chloride was added dropwise to lauric acid, heated to 75°C, stirred and reacted for 2h, then heated to 90°C, and refluxed for 2h. Then the reaction mixture was subjected to fractional distillation, first to remove excess thionyl chloride under reduced pressure, and then collect the 146-150°C (2.13-2.27kPa) fraction, which is dodecanoyl chloride. The yield is about 80%.

Uses

Used as an acylating agent for the synthesis of surfactants and other organic chemicals

Intermediates

Non-TSCA use

Production

1,000,000 - 10,000,000 lb

Manufacturing Info：

All other basic organic chemical manufacturing|Dodecanoyl chloride: ACTIVE

Computed Properties

Molecular Weight:218.76
XLogP3:5.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:10
Exact Mass:218.1437430
Monoisotopic Mass:218.1437430
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:134
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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