Basic information
- CAS
21188-61-4- Standard SMILES
CCCC(CC(=O)OCC)OC(C)=O- InChIKey
UYBMIHNGXIOMAW-UHFFFAOYSA-N- Molecular formula
- C10H18O4
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.12050905
Names & identifiers
- Preferred name
- Ethyl 3-acetoxyhexanoate
- IUPAC
- ethyl 3-acetyloxyhexanoate
- English name
- Ethyl 3 acetoxy hexanoate
- Molecular formula
- C10H18O4
- Molecular weight
- 202.25
Names & synonyms
Ethyl 3-acetoxyhexanoate21188-61-4Hexanoic acid, 3-(acetyloxy)-, ethyl esterDTXSID30275860DTXSID40864981EINECS 244-263-1RefChem:594784DTXCID30227228DTXCID40813439244-263-1ethyl 3-acetyloxyhexanoateMFCD00792508
Show more names
ETHYL3-ACETOHEXANOATEEthyl 3 acetoxy hexanoateEthyl3-Acetoxyhexanoate>3-Acetoxycaproic acid ethyl ester3-ACETOXYCAPRONIC ACID ETHYL ESTER3-(acetyloxy)-hexanoicaciethylester3-(Acetyloxy)hexanoic acid ethyl ester
ETHYL 3-(ACETYLOXY)HEXANOATEETHYL3ACETOXYHEXANOATE3-Acetoxyhexanoic Acid Ethyl EsterSCHEMBL8862332SY056505DB-003647NS00050993D90582
Database identifiers
- CAS
21188-61-4、21696-23-1- PubChem CID
- 89464
- DTXSID
DTXSID30275860- EC Number
- 244-263-1
- Nikkaji
- J226.161H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 200 ℃ · 200℃
- Density
- 1.006 · 1.006
- FLAVIS Number
- 9.832 · 09.832 | Ethyl 3-acetohexanoate
- refractive index
- 1.42 to · 1.4200 to 1.4240
- Flash point
- 82 ℃ · 82℃
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fruity green note with good body
- Odor Type
- fruity
- LogP
- 2.076 · 2.076 (est)
- EPA Substance Registry System
- 3 · Ethyl 3-acetoxyhexanoate (21188-61-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 501 · P501-P210-P280-P370+P378-P403+P235
- TSCA
- TSCA listed
- HS Code
- 2918.19 · 2918.19.9000
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 98.9% (89 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Hexanoic acid, 3-(acetyloxy)-, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2918.19.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227
- Precautionary statements
- P501-P210-P280-P370+P378-P403+P235
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanoic acid, 3-(acetyloxy)-, ethyl ester: ACTIVE
Suppliers26 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Aladdin Scientific[email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [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]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
BOC Sciences[email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
LYSCHEM International LLC13911018262 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
深圳利斯康医药科技有限公司+86-0755-89396905 +86-18025329037 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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