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delta-TETRADECALACTONE

HCID 520296
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
2721-22-4
Standard SMILES
CCCCCCCCCC1CCCC(=O)O1
InChIKey
SKQYTJLYRIFFCO-UHFFFAOYSA-N
Molecular formula
C14H26O2
Average molar mass
226.35 g/mol
Monoisotopic mass
226.19328007

Overview

Delta-Tetradecalactone is a delta-lactone.

Names & identifiers

Preferred name
delta-TETRADECALACTONE
IUPAC
6-nonyloxan-2-one
English name
delta-Tetradecalactone
Molecular formula
C14H26O2
Molecular weight
226.35

Names & synonyms

delta-Tetradecalactone2721-22-4delta-Tetradecanolactone2H-Pyran-2-one, tetrahydro-6-nonyl-Tetrahydro-6-nonyl-2H-pyran-2-onedelta-TetradecanolideFEMA No. 3590.delta.-Tetradecalactone5-Hydroxytetradecanoic acid delta-lactoneEINECS 220-334-246339AI51N.DELTA.-TETRADECANOLACTONE
Show more names
FEMA 3590δ-Tetradecalactoneδ-Tetradecalactone6-nonyloxan-2-oneδ-Myristolactoneδ-Myristolactone5-TETRADECANOLIDEi-tetradecalactoned-Tetradecalactone
.DELTA.-TETRADECANE LACTONEDELTA-TETRADECALACTONE [FCC].DELTA.-TETRADECALACTONE [FHFI].DELTA.-NONYL-.DELTA-VALEROLACTONETETRADECANOIC ACID .DELTA.-LACTONE5-HYDROXYTETRADECANOIC ACID .DELTA.-LACTONETETRADECANOIC ACID, 5-HYDROXY-, .DELTA.-LACTONERefChem:585692

Database identifiers

CAS
2721-22-4

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
16
Formal charge
0
Complexity
189

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
FragrancesFragrance Ingredient (delta-Tetradecalactone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.932-0.969
Flavoring AgentsEU Flavoring substances
Solubility · 2 items

soluble in alcohol,vegetable oil and propylene glycol; insoluble in water

(in ethanol)

Boiling Point · 2 items

130.00 to 135.00 °C. @ 5.00 mm Hg

290 °C

Melting Point14 °C
Refractive Index1.454-1.464
Physical Description · 2 items

Liquid

colourless to pale yellow liquid with a soft, creamy, musky butter-like odour

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 · 3 items

This chemical does not meet GHS hazard criteria for 96.9% (124 of 128) of all reports.

Not Classified

Aggregated GHS information provided per 128 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: 2H-Pyran-2-one, tetrahydro-6-nonyl-

Regulation (EC) No 1831/2003 (amended)

2H-Pyran-2-one, tetrahydro-6-nonyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Safety data

PPE
Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29322090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
23-24/25-37-26
Storage Class
10 - Combustible liquids
Hazard statements
H315-H319-H335
Precautionary statements
P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

Use Classification · 3 items

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information2H-Pyran-2-one, tetrahydro-6-nonyl-: ACTIVE
Applications · 3 items

OccurrenceReported found in blue cheeses, cheddar cheese, parmesan cheese, buttermilk, heated butter, chicken fat, heated beef fat, milk, lamb and mutton liver, pork fat and coconut meat and oil.

Usesflavors and fragrances

General Descriptionδ-Tetradecalactone is a flavoring substance that is reported to occur in ovine fat, beef fat, heated butter and cheddar cheese.

Suppliers101 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司

Related reactions

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New reaction record

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
PubChem CID
520296
DTXSID
DTXSID60863012
ChEBI
CHEBI:171877
UNII
46339AI51N
EC Number
220-334-2
Nikkaji
J209.025B

Physicochemical properties

Melting point
130 · 130-135°C
Boiling point
130 · 130-135 °C/5 mmHg (lit.)
Density
0.935 g/mL · 0.935 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.461(lit.)
FEMA
3590 · 3590 | DELTA-TETRADECALACTONE
FLAVIS Number
10.016 · 10.016 | Tetradecano-1,5-lactone
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature
form
clear liquid
color
Colorless to Almost colorless
Specific Gravity
0.94 · 0.94
Odor
100 % · at 100.00 %. waxy creamy buttery oily fatty cheesy milky dairy
Odor Type
waxy
biological source
synthetic
JECFA Number
238 · 238
Major Application
flavors and fragrances
InChI
1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3
InChIKey
SKQYTJLYRIFFCO-UHFFFAOYSA-N
SMILES
CCCCCCCCCC1CCCC(=O)O1
LogP
4.54 · 4.54
CAS DataBase Reference
2721 · 2721-22-4(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS)
DELTA-TETRADECALACTONE
EWG's Food Scores
1 · 1
FDA UNII
46339 AI51N · 46339AI51N
NIST Chemistry Reference
2 H-pyran-2-one, · 2H-pyran-2-one, tetrahydro-6-nonyl-(2721-22-4)
EPA Substance Registry System
2 H-Pyran-2-one, · 2H-Pyran-2-one, tetrahydro-6-nonyl- (2721-22-4)
UNSPSC Code
12164502 · 12164502
NACRES
21 · NA.21
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE
Eyeshields, Gloves
Risk Statements
36 · 36/37/38
Safety Statements
23 · 23-24/25-37-26
WGK Germany
3 · 3
TSCA
TSCA listed
HS Code
29322090 · 29322090
Storage Class
10 · 10 - Combustible liquids
81960175-877 18933936954 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
吉良化学21-62165282 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
广东大小化工有限公司171603 18666171603 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
青岛保税区鲁联国际贸易有限公司0532-83893697 18561902820 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
安徽进博香料有限公司15102127101 15556562013 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
海南瀚海致远生物科技有限公司18171012772 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
安那莱(齐河)新材料科技有限公司18600642180(微信同) 13391601435 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
武汉卡诺斯科技有限公司18064039730 · [email protected]
广州卡芬生物科技有限公司18029243487 2355327168 · [email protected]

Additional notes

DefinitionChEBI: Delta-Tetradecalactone is a delta-lactone.