Butyl palmitate

HCID 8090CAS 111-06-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCCCC
InChIKey
GLYJVQDYLFAUFC-UHFFFAOYSA-N
Molecular formula
C20H40O2
Average molar mass
312.5 g/mol
Monoisotopic mass
312.30283052

Overview

Butyl hexadecanoate is a hexadecanoate ester obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of butanol. It has a role as an insect repellent, an animal metabolite and a plant metabolite.

Names & identifiers

Preferred name
Butyl palmitate
IUPAC
butyl hexadecanoate
English name
PALMITIC ACID N-BUTYL ESTER
Molecular formula
C20H40O2
Molecular weight
312.53

Names & synonyms

BUTYL PALMITATEButyl hexadecanoate111-06-8Hexadecanoic acid, butyl estern-Butyl palmitaten-Butyl hexadecanoatePalmitic acid, butyl esterDUQ37A5I26NSC 4815NSC-4815EINECS 203-829-8AI3-07959
Show more names
ButylpalmittateButylPalmitate>Palmitic acid butylPALMITIC ACID N-BUTYDronedarone Impurity 53hexadecanoicacidbutylester
DTXSID3059395BUTYL PALMITATE [USP-RS]CHEBI:132549BUTYL PALMITATE (USP-RS)nButyl palmitatenButyl hexadecanoateRefChem:571772DTXCID9033189

Database identifiers

CAS
111-06-8
PubChem CID
8090
DTXSID
DTXSID3059395
ChEBI
CHEBI:132549
UNII
DUQ37A5I26
EC Number
203-829-8
Nikkaji
J45.540G

Properties

Computed structural properties

XLogP
8.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
18
Heavy atoms
22

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Esters, Other
Flavoring AgentsEU Flavoring substances
Vapor Pressure0.0000172 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 2 items

Light yellow liquid or solid with a pleasant fruity odor; mp = 17 deg C; [Chem Service MSDS]

Liquid

Physicochemical properties

Melting point
16.9 °C · 16.9°C
Boiling point
170 °C · 170 °C / 10mmHg
Density
0.86 · 0.86
refractive index
1.44 to · 1.4400 to 1.4440
FLAVIS Number
9.331 · 09.331 | Butyl hexadecanoate
Flash point
14 °C · 14 °C

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.

Not Classified

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Hexadecanoic acid, butyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryMay cause irritation; [Chem Service MSDS]
Hazard Classes and CategoriesNot Classified

Safety data

wgk
WGK 3
tsca
TSCA listed
hs_code
2915700100
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationHexadecanoic acid, butyl ester: ACTIVE

Applications

UsesButyl Palmitate is plasticizer compound.

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Additional notes · 1 item

DefinitionChEBI: Butyl hexadecanoate is a hexadecanoate ester obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of butanol. It has a role as an animal metabolite, a plant metabolite and an insect repellent.

Related reactions

1 records
New reaction record

Linked notes

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