Basic information
- CAS
710-04-3- Standard SMILES
CCCCCCC1CCCC(=O)O1- InChIKey
YZRXRLLRSPQHDK-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Overview
6-Hexyltetrahydro-2H-pyran-2-one is a delta-lactone.
Names & identifiers
- Preferred name
- delta-UNDECALACTONE
- IUPAC
- 6-hexyloxan-2-one
- English name
- Undecanolactone
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
710-04-3delta-Undecalactone6-Hexyltetrahydro-2H-pyran-2-one6-hexyloxan-2-one5-Undecanolide2H-PYRAN-2-ONE, 6-HEXYLTETRAHYDRO-Undecanoic delta-lactone5-Hydroxyundecanoic acid lactoneUndecanolide-1,5delta-UndecanolactoneFEMA No. 3294delta-Hexylvalerolactone
Show more names
δ-UndecalactoneDELTA-UNDECANOICLACTONEFEMA 3294UndecanoicUndecan-5-olideN-undecanolide
Delta undecalactone.delta.-Hexylvalerolactone.delta.-UndecalactoneDTXSID9047099AI3-36029EINECS 211-915-12H-Pyran-2-one, tetrahydro-3-hexyl-5-Hexyl-5-hydroxypentanoic acid lactone
Database identifiers
- CAS
710-04-3- PubChem CID
- 61204
- DTXSID
DTXSID9047099- ChEMBL
CHEMBL372447- ChEBI
CHEBI:171846- UNII
- ERL32M2M38
- EC Number
- 211-915-1
- Nikkaji
- J35.390F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Lactones
FragrancesFragrance Ingredient (delta-Undecalactone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.956-0.961
Flavoring AgentsEU Flavoring substances
Solubility1 ml in 1 ml 95% alcohol (in ethanol)
Boiling Point
152.00 to 155.00 °C. @ 10.50 mm Hg
152-155 °C (10.5 mm Hg)
Refractive Index1.457-1.461
Physical Description
Colorless liquid; [Sigma-Aldrich MSDS]
colourless to pale yellow liquid with a creamy, peach-like odour
Physicochemical properties
- Boiling point
- 152 · 152-155 °C10.5 mm Hg(lit.)
- alpha
- 0 ° · 0°(25℃, neat)
- Density
- 0.969 g/mL · 0.969 g/mL at 25 °C(lit.)
- vapor pressure
- 0.059 · 0.059-0.11Pa at 20-25℃
- FEMA
- 3294 · 3294 | 5-HYDROXYUNDECANOIC ACID LACTONE
- refractive index
- 20 · n20/D 1.459(lit.)
- FLAVIS Number
- 10.011 · 10.011 | Undecano-1,5-lactone
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Insoluble in water
- form
- Liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.962 · 0.9620.969
- Odor
- 100 % · at 100.00 %. creamy fatty coconut fruity peach waxy
- Odor Type
- coconut
- biological source
- synthetic
- JECFA Number
- 234 · 234
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3
- InChIKey
- YZRXRLLRSPQHDK-UHFFFAOYSA-N
- SMILES
- CCCCCCC1CCCC(=O)O1
- LogP
- 2.9 · 2.9-3 at 20℃ and pH7
- CAS DataBase Reference
- 710 · 710-04-3(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 5 · 5-HYDROXYUNDECANOIC ACID LACTONE
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 32 M2M38 · ERL32M2M38
- NIST Chemistry Reference
- Undecanolactone(710-04-3)
- EPA Substance Registry System
- 2 H-Pyran-2-one, · 2H-Pyran-2-one, 6-hexyltetrahydro- (710-04-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 2 · 2
- RTECS
- 1320000 · UQ1320000
- TSCA
- TSCA listed
- HS Code
- 2932.2 · 2932.20.5050
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 · Eye Irrit. 2
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 97.2% (1466 of 1509) of all reports.
Not Classified
Aggregated GHS information provided per 1509 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2H-Pyran-2-on,e, 6-hexyltetrahydro-
Regulation (EC) No 1831/2003 (amended)
REACH registered substance: 6-hexyltetrahydro-2H-pyran-2-one (EC: 211-915-1)
2H-Pyran-2-one, 6-hexyltetrahydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA moderate skin irritant; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See gamma-Nonalactone.
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- UQ1320000
- hs_code
- 2932.20.5050
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H319
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2H-Pyran-2-one, 6-hexyltetrahydro-: ACTIVE
Applications
DescriptionUndecanolactone has a sweet, fruity, milky, creamy, buttery, estery, waxy, coconut aroma and taste. It is the key ingredient for the special flavor of natural cream and can be used for flavoring soft drinks, candy, margarine, ice cream, cold and baked goods, etc.
OccurrenceReported found in coconut flavor, melon, blackberry, blueberry, heated butter, milk, milk powder, cream, coconut meat and starfruit.
UsesUndecanoic δ-lactone has been used as substrate to investigate the activities of stimulated and nonstimulated human serum paraoxonase (PON1) samples.
UsesPerfumery, flavoring agent.
General DescriptionUndecanoic δ-lactone has been found to be best substarte for good substrates for lactonase from Sulfolobus islandicus (SisLac).
Preparation methods
PreparationBy intramolecular Cannizzaro-type rearrangement of 2-hexylglutaraldehyde.
Upstream & downstream products
Upstream raw materials
Suppliers100 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
吉良化学21-62165282 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [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]
艾科试剂4008-755-333 18080918076 · [email protected]
青岛保税区鲁联国际贸易有限公司0532-83893697 18561902820 · [email protected]
武汉欣扬瑞和化学科技有限公司027-83855316 18171155316
上海思域化工科技有限公司86-21-34053660 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
吉水县益康天然香料油提炼厂0796-8128936 19070600085
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
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]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
武汉欣扬瑞和化学科技有限公司13720181483 13720181483 · [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021-4007787-550 400-7787-550 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [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]
Additional notes
DefinitionChEBI: 6-Hexyltetrahydro-2H-pyran-2-one is a delta-lactone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…