Basic information
- CAS
6413-10-1- Standard SMILES
CCOC(=O)CC1(C)OCCO1- InChIKey
XWEOGMYZFCHQNT-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920893
Names & identifiers
- Preferred name
- Ethyl acetoacetate ethyleneglycol ketal
- IUPAC
- ethyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate
- English name
- Fructone
- Molecular formula
- C8H14O4
- Molecular weight
- 174.19
Names & synonyms
6413-10-1Fructone1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl esterEthyl 2-methyl-1,3-dioxolane-2-acetateEthyl acetoacetate ethylene ketalEthyl acetoacetate 3-ethylene acetalEthyl 3-oxobutyrate ethylene ketalEthyl acetoacetate ethyleneglycol ketalG5EXI4NID0APPLINALNSC 6537BRN 0130164
Show more names
Ethyl acetoacetate ethylene acetalJasmaprunat2-(2-methyl-1,3-dioxolan-2-yl)acetic acid ethyl esterEthylfruitatETHYL-2-METHYL-1,3-DIOXOLANE-2-ACETATEETHYLACETOACETATEETHYLENEGLYCOL-ACETALETHYL 2-(2-METHYL-1,3-DIOXOLAN-2-YL)ACETATEfructone,Ethyl acetoacetate ethylene glycol ketal
EINECS 229-114-0Ethylacetoacetate ethyleneglycol ketalEthyl acetoacetate ethylene glycol ketal2-Methyl-1,3-dioxolane-2-acetic acid ethyl esterDTXSID3041241AI3-06368NSC-6537EC 229-114-0
Database identifiers
- CAS
6413-10-1- PubChem CID
- 80865
- DTXSID
DTXSID3041241- UNII
- G5EXI4NID0
- EC Number
- 229-114-0
- Nikkaji
- J76.716F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Ethyl 2-methyl-1,3-dioxolane-2-acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.083-1.091 (20 °C)
Solubility
Very slightly soluble in water
Soluble (in ethanol)
Boiling Point125-126 °C
Refractive Index1.428-1.435
Physical DescriptionClear colourless liquid; Strong fruity apple green sweet woody aroma
Physicochemical properties
- Boiling point
- 90 °C · 90 °C
- Density
- 1.0817 · 1.0817 (rough estimate)
- vapor pressure
- 1.08 hPa · 1.08hPa at 20℃
- FEMA
- 4477 · 4477 | ETHYL ACETOACETATE ETHYLENEGLYCOL KETAL
- refractive index
- 1.431 · 1.4310-1.4350
- Flash point
- 93 °C · 93.00°C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor
- 100 % · at 100.00 %. sweet fruity apple green tropical plum woody
- Odor Type
- fruity
- biological source
- synthetic
- Viscosity
- 3.242 mm2/s · 3.242mm2/s
- Water Solubility
- 124.8 g/L · 124.8g/L at 20℃
- JECFA Number
- 1969 · 1969
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C8H14O4/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3
- InChIKey
- XWEOGMYZFCHQNT-UHFFFAOYSA-N
- SMILES
- O=C(OCC)CC1(C)OCCO1
- LogP
- 0.8 at · 0.8 at 35℃
- CAS DataBase Reference
- 6413 · 6413-10-1(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- ETHYL ACETOACETATE ETHYLENEGLYCOL KETAL
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 EXI4NID0 · G5EXI4NID0
- NIST Chemistry Reference
- Ethyl acetoacetate ethylene acetal(6413-10-1)
- EPA Substance Registry System
- 1 · 1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester (6413-10-1)
- UNSPSC Code
- 12164502 · 12164502
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501
- Hazard Codes
- Xi
- WGK Germany
- 2 · WGK 2
- RTECS
- 6762500 · JH6762500
- TSCA
- TSCA listed
- HS Code
- 2932.99 · 2932.99.9090
- Storage Class
- 10 · 10 - Combustible liquids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 97.4% (1620 of 1663) of all reports.
Not Classified
Aggregated GHS information provided per 1663 reports by companies from 8 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester
Status: Active Update: 08-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/9998
1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 2
- tsca
- TSCA listed
- rtecs
- JH6762500
- hs_code
- 2932.99.9090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- REACH Registrations
- Active
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
Household Products
Information on 53 consumer products that contain ethyl 2-methyl-1,3-dioxolane-2-acetate in the following categories is provided:
Information on 61 consumer products that contain Ethyl 2-methyl-1,3-dioxolane-2-acetateââ¬Â¨ in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester: ACTIVE
Applications
Usesflavors and fragrances
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
南通萧畅医药贸易有限公司0513-82104991 18862997351 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
吉良化学21-62165282 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
河南蔚源生物科技有限公司0371-27990887 13703782753 · [email protected]
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
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [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
上海湄水化工科技有限公司021-60549325 18616193163
HBCChem, Inc.+1-510-219-6317 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
池州凯隆进出口贸易有限公司[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]
湖北赛恩斯化工有限公司15994282563 15994282563 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
武汉鑫儒化工有限公司15927387915 15337108568
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
上海庆云启日化科技有限公司156-18090907 15618090907 · [email protected]
南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]
杭州汗科化工有限公司0571-88039185
上海前衍生物科技有限公司02781293128 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海西格生物科技有限公司021-57810052 18930344717 · [email protected]
湖北阡陌生物科技有限公司0711-3812399 18062309155 · [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]
常州合晶化工有限公司85528066 13775048983 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
深圳市森迪生物科技有限公司18126413629 0755-23311925 2355327053 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
Related reactions
6 records
Compound notes
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