기본 정보
- CAS
6413-10-1- 표준 SMILES
CCOC(=O)CC1(C)OCCO1- InChIKey
XWEOGMYZFCHQNT-UHFFFAOYSA-N- 분자식
- C8H14O4
- 평균 분자량
- 174.19 g/mol
- 단동위원소 질량
- 174.08920893
이름 및 식별자
- 우선 이름
- Ethyl acetoacetate ethyleneglycol ketal
- IUPAC
- ethyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate
- 현지명
- 프럭톤
- 영어명
- Fructone
- 분자식
- C8H14O4
- 분자량
- 174.19
이름 및 동의어
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
이름 더 보기
프럭톤Ethyl 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
데이터베이스 식별자
- CAS
6413-10-1- PubChem CID
- 80865
- DTXSID
DTXSID3041241- UNII
- G5EXI4NID0
- EC Number
- 229-114-0
- Nikkaji
- J76.716F
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 44.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 160
실험 및 물리화학적 성질
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
물리화학적 성질
- 끓는 점
- 90 °C · 90 °C
- 밀도
- 1.0817 · 1.0817 (rough estimate)
- 증기압
- 1.08 hPa · 1.08hPa at 20℃
- FEMA
- 4477 · 4477 | ETHYL ACETOACETATE ETHYLENEGLYCOL KETAL
- 굴절률
- 1.431 · 1.4310-1.4350
- 인화점
- 93 °C · 93.00°C
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- 냄새
- 100 %에서 · 100.00%에서. 달콤한 과일 사과 녹색 열대 자두 우디
- 냄새 유형
- 과일 같은
- 생물학적 소스
- synthetic
- 수용성
- 124.8 g/L · 124.8g/L at 20℃
- JECFA Number
- 1969 · 1969
- 주요 응용
- 향료 및 향
- 화장품 원료 기능
- 향수
- 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℃
- NIST
- Ethyl acetoacetate ethylene acetal(6413-10-1)
- EPA
- 1 · 1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester (6413-10-1)
화학적 성질
Ethyl (2-Methyl-[1,3]dioxolan-2-yl)-acetate is not found in nature. It is a colorless liquid, d2041.084–1.092, n20D 1.431–1.435, with a strong, fruity, apple-like, slightly green odor. It can be prepared by acetalization of ethyl acetoacetate with ethylene glycol.Very slightly soluble in water, soluble in alcohol and Propylene glycol, miscible with most perfume oils.
안전 및 규제
GHS 분류
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.
유해성 정보
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
안전 데이터
- wgk
- WGK 2
- tsca
- TSCA listed
- rtecs
- JH6762500
- HS 번호
- 2932.99.9090
- hazard_code
- Xi
- 기존화학 물질
- KE-23784
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
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
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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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]
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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]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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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]
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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]
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常州合晶化工有限公司85528066 13775048983 · [email protected]
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