Basic information
- CAS
112-66-3- Standard SMILES
CCCCCCCCCCCCOC(C)=O- InChIKey
VZWGRQBCURJOMT-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Overview
Dodecyl acetate is a carboxylic ester.
Names & identifiers
- Preferred name
- Dodecyl acetate
- IUPAC
- dodecyl acetate
- English name
- DODECYL ACETATE
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37
Names & synonyms
DODECYL ACETATELauryl acetate112-66-31-Dodecanol acetateAcetic acid, dodecyl esterDodecanol acetateDodecanyl acetaten-Dodecyl ethanoateDodecyl alcohol acetateLauryl ethanoateDodecanyl ethanoateFEMA No. 2616
Show more names
FEMA 2616NSC 67366acetatec-12LAURYLACETATAcetate C-12DodecylacetatOkimelanolureDodecylethanoate
DODECYLACETATEDTXSID704764176J36KE44BNSC-67366DTXCID5027641RefChem:798584203-995-1N-Dodecyl acetate
Database identifiers
- CAS
112-66-3- PubChem CID
- 8205
- DTXSID
DTXSID7047641- ChEMBL
CHEMBL2228460- ChEBI
CHEBI:165649- UNII
- 76J36KE44B
- EC Number
- 203-995-1
- Nikkaji
- J1.506G
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Lauryl acetate) -> IFRA transparency List
Pesticides
Attractants
Active substance -> EU Pesticides database: Approved
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.860-0.865
Flavoring AgentsEU Flavoring substances
Solubility
soluble in most organic solvents
1 ml in 4 ml 80% alcohol (in ethanol)
Boiling Point
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 97.6% (1553 of 1592) of all reports.
Not Classified
Aggregated GHS information provided per 1592 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Acetic acid, dodecyl ester
Reg. (EU) 2008/127, Reg. (EU) 2017/195, Reg. (EU) 2021/745, Reg. (EU) 2022/1251, Reg. (EU) No 540/2011, Reg. (EU) No 918/2014, Reg. (EU)2020/1160
Acetic acid, dodecyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Acetic acid, dodecyl ester: Environment tier I assessment
Hazards SummaryA mild skin irritant; [RTECS] Safe when used as a flavoring agent in food; [JECFA] May cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- AH3525000
- hs_code
- 2915.39.4000
- risk_code
- 53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Uses
Used as a flavoring agent; [FDA] Component of straight chain Lepidopteran pheromone (SCLP) formulations used in plant protection products in the EC; SCLPs function by mating disruption or mass trapping rather than directly killing the target insect; [ExPub: EFSA: DAR - Vol. 1] Used to flavor animal feeds; [ExPub: EFSA - FEEDAP]
Farming (Pesticides) [Category: Industry]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationAcetic acid, dodecyl ester: ACTIVE
Applications
DescriptionLauryl acetate has a characteristic citrus-rose odor. The corre sponding flavor develops only on dilution. May be prepared by acetylation of lauryl alcohol.
OccurrenceReported found in sour cherry, cardamom, bitter orange, lime, lemon and mandarin peel oils.
Uses1-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.
Preparation methods
Related reactions
1 records
Compound notes
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