ChemicalBook--->CAS DataBase List--->112-66-3

112-66-3

112-66-3 Structure

112-66-3 Structure
IdentificationMore
[Name]

DODECYL ACETATE
[CAS]

112-66-3
[Synonyms]

ACETIC ACID DODECYL ESTER
ACETIC ACID LAURYL ESTER
ACETIC ACID N-DODECYL ESTER
DODECYL ACETATE
FEMA 2616
LAURYL ACETATE
1-Dodecanol acetate
1-dodecanolacetate
Acetate C-12
acetatec-12
Dodecan-1-yl acetate
dodecan-1-ylacetate
Dodecanol acetate
dodecanolacetate
Dodecanyl acetate
Dodecyl alcohol, acetate
dodecylalcoholacetate
Dodecylethanoate
n-Dodecyl acetate
n-Dodecyl ethanoate
[EINECS(EC#)]

203-995-1
[Molecular Formula]

C14H28O2
[MDL Number]

MFCD00008973
[Molecular Weight]

228.37
[MOL File]

112-66-3.mol
Chemical PropertiesBack Directory
[Melting point ]

1.3℃
[Boiling point ]

150 °C15 mm Hg(lit.)
[density ]

0.865 g/mL at 25 °C(lit.)
[FEMA ]

2616
[refractive index ]

n20/D 1.432(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

Acetone (Slightly), Chloroform (Slightly), Hexanes (Slightly)
[form ]

Oil
[color ]

Colourless
[Odor]

at 100.00 %. sweet fresh laundared cloths clean waxy
[biological source]

synthetic
[Odor Type]

waxy
[JECFA Number]

133
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3
[InChIKey]

VZWGRQBCURJOMT-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCCCCOC(C)=O
[LogP]

6.02
[CAS DataBase Reference]

112-66-3(CAS DataBase Reference)
[EPA Substance Registry System]

Acetic acid, dodecyl ester (112-66-3)
Safety DataBack Directory
[Risk Statements ]

53
[WGK Germany ]

2
[RTECS ]

AH3525000
[TSCA ]

TSCA listed
[HS Code ]

2915.39.4000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 4
Hazard InformationBack Directory
[Description]

Lauryl acetate has a characteristic citrus-rose odor. The corre sponding flavor develops only on dilution. May be prepared by acetylation of lauryl alcohol.
[Chemical Properties]

Lauryl acetate has a characteristic citrus–rose odor. The corresponding flavor develops only on dilution.
[Occurrence]

Reported found in sour cherry, cardamom, bitter orange, lime, lemon and mandarin peel oils.
[Uses]

1-Dodecanol Acetate can be used as a foaming agent in the purification process of quartz sand. Furthermore, it is a main component of the essential oil from the flowers of Etlingera elatior (Jack) R. M. Smith, which is found to be active against Staphylococcus aureus, Bacillus cereus, Candida albicans and Cryptococcus neoformans.
[Application]

Dodecyl acetate is useful in perfume formulations, particularly as a topnote ingredient - in spite of its high boiling point. In fact, the performance of odor, shown by this chemical, is quite remarkable. A lasting odor from the very topnote throughout the various stages of evaporation of the fragrance. However, it needs blending with other materials to become more attractive, especially Citrus oils, light, fruity notes or light woody notes. It will also impart a pleasant freshness to sophisticated Pine fragrances, and in Carnation bases. Dodecyl acetate is also used in flavor compositions for imitation Butter, Lemon, Orange, Peach, Pineapple, etc. and in various meat flavor bases. The concentration in the finished product will normally be about 1 to 6 ppm.
[Definition]

ChEBI: Dodecyl acetate is a carboxylic ester.
[Preparation]

By acetylation of lauryl alcohol.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 38, p. 764, 1973 DOI: 10.1021/jo00944a031
Synthesis, p. 309, 1971
[Toxicity evaluation]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1974). In a study of toxicity to fish, the toxic concentration of lauryl acetate to Carassius auratus and Salmo gairdnerii during a 6-hr observation period at 15°C was found to be 5.20 mg/litre.The surface tension (50.1) was not related directly to the toxicity (Marchetti, 1964).
Spectrum DetailBack Directory
[Spectrum Detail]

DODECYL ACETATE(112-66-3)MS
DODECYL ACETATE(112-66-3)1HNMR
DODECYL ACETATE(112-66-3)13CNMR
DODECYL ACETATE(112-66-3)IR1
DODECYL ACETATE(112-66-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

112-66-3(sigmaaldrich)
[TCI AMERICA]

Dodecyl Acetate,>95.0%(GC)(112-66-3)
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