Butyl laurate

HCID 61015CAS 106-18-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCC(=O)OCCCC
InChIKey
NDKYEUQMPZIGFN-UHFFFAOYSA-N
Molecular formula
C16H32O2
Average molar mass
256.42 g/mol
Monoisotopic mass
256.24023026

Overview

Butyl dodecanoate is a fatty acid ester.

Names & identifiers

Preferred name
Butyl laurate
IUPAC
butyl dodecanoate
English name
Butyl laurate
Molecular formula
C16H32O2
Molecular weight
256.42

Names & synonyms

Butyl laurateButyl dodecanoateDODECANOIC ACID, BUTYL ESTERn-Butyl laurateLauric acid butyl esterLauric acid, butyl esterBytyl laurateButyl dodecylateLauric acid n-butyl estern-Butyl n-dodecanoateBytyl laurate (natural)FEMA No. 2206
Show more names
ButyllauratButylLaurate>Lauric acid butylBUTYL LAURATE 99+%N-BUTYL DODECANOATE
23985OCM4HNSC-3920BUTYL LAURATE [FHFI]UNII-23985OCM4HFEMA 2206Lauric acid, butyl ester (8CI)NSC 3920EINECS 203-370-3

Database identifiers

CAS
106-18-3
PubChem CID
61015
DTXSID
DTXSID4059336
ChEBI
CHEBI:174365
UNII
23985OCM4H
EC Number
203-370-3
Nikkaji
J47.574B

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
14
Heavy atoms
18

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesBoiling point
LogP6.51
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.853-0.863
Flavoring AgentsEU Flavoring substances

Physicochemical properties

Melting point
-10 °C · -10 °C (lit.)
Boiling point
180 °C/18 · 180 °C/18 mmHg (lit.)
Density
0.855 g/mL · 0.855 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.435(lit.)
FEMA
2206 · 2206 | BUTYL LAURATE
FLAVIS Number
9.1 · 09.100 | Butyl dodecanoate

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (91 of 91) of all reports.

Not Classified

Aggregated GHS information provided per 91 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Dodecanoic acid, butyl ester

Dodecanoic acid, butyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Dodecanoic acid, butyl ester: Environment tier I assessment
Hazard Classes and CategoriesNot Classified

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
1
tsca
TSCA listed
hs_code
2915.90.5050
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Pharmacology

Cellular LocationsExtracellular

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationDodecanoic acid, butyl ester: ACTIVE

Applications

OccurrenceReported found in fresh apple, apple juice, whiskey and papaya.

Usesn-Butyl dodecanoate is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

Preparation methods

PreparationBy esterification of lauric acid with n-butyl alcohol in the presence of H2SO4 or by conducting the esterification using gaseous HCl as a catalyst.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

Additional notes

DefinitionChEBI: Butyl dodecanoate is a fatty acid ester.

Related reactions

3 records
New reaction record

Linked notes

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