에틸2-아세틸카프릴레이트

Ethyl 2-acetyloctanoate

HCID 121790
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기본 정보

CAS
29214-60-6
표준 SMILES
CCCCCCC(C(C)=O)C(=O)OCC
InChIKey
BRGRZPQESQKATK-UHFFFAOYSA-N
분자식
C12H22O3
평균 분자량
214.3 g/mol
단동위원소 질량
214.15689456

이름 및 식별자

우선 이름
Ethyl 2-acetyloctanoate
IUPAC
ethyl 2-acetyloctanoate
현지명
에틸2-아세틸카프릴레이트
영어명
Ethyl 2-acetylcaprylate
분자식
C12H22O3
분자량
214.3

이름 및 동의어

Ethyl 2-acetyloctanoateEthyl 2-acetylcaprylateOctanoic acid, 2-acetyl-, ethyl esterjasmin acetoacetaten-Hexylethyl acetaoacetateEthyl-2-hexyl acetoacetateEthyl-2-hexyl acetaoacetateEthyl alpha-hexylacetoacetaten-Hexylacetoacetic acid ethyl esterUNII-6C0M05YGSFEINECS 249-518-06C0M05YGSF
이름 더 보기
에틸2-아세틸카프릴레이트JESSATEgelsone (IFF)JESSATE 05366, QUESTethyl2-acetyloctanoateethyl2-acetylcaprylateEthyl-2-acetyloctanoatN-HEXYLETHYLACETOACETATEETHYL-3-HEXYLACETOACETATE
BRN 1774721GELSONEDTXSID3051969FEMA NO. 44593-03-00-01269 (Beilstein Handbook Reference)ETHYL .ALPHA.-HEXYLACETOACETATEETHYL 2-N-HEXYL-2-ACETOACETATERefChem:138559

데이터베이스 식별자

CAS
29214-60-6
PubChem CID
121790
DTXSID
DTXSID3051969
UNII
6C0M05YGSF
EC Number
249-518-0
Nikkaji
J60.804A

물성

구조 계산 물성

XLogP
3.4
극성 표면적
43.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
9
무거운 원자 수
15

실험 및 물리화학적 성질

Density0.934-0.940 (20 °C)
Solubility · 2건

Soluble in water

Soluble (in ethanol)

Boiling Point253-254 °C
Refractive Index1.430-1.440
Physical DescriptionClear colourless liquid; Fruity jasmine herbal waxy aroma

물리화학적 성질

끓는 점
149 °C · 149 °C / 25mmHg
밀도
0.94 · 0.94
굴절률
1.432 to · 1.4320 to 1.4360
FEMA
4459 · 4459 | ETHYL 2-ACETYLOCTANOATE
산도 계수 (pKa)
11.89 · 11.89±0.59(Predicted)
물리적 상태
투명한 액체

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (1522 of 1522) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 1522 of 1522 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 1522 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1522 of 1522 reports by companies.；There are 0 notifications provided by 0 of 1522 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Chemical: Octanoic acid, 2-acetyl-, ethyl ester

Octanoic acid, 2-acetyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

규제 정보

Regulatory Information · 2건

Chemical: Octanoic acid, 2-acetyl-, ethyl ester

Octanoic acid, 2-acetyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

tsca
TSCA listed
rtecs
RH0352500
독성
Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Shelanski, 1973).
HS 번호
2918.30.9000
기존화학 물질
KE-00126

화학 및 산업

용도 및 제조

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationOctanoic acid, 2-acetyl-, ethyl ester: ACTIVE

응용 분야

출처Has apparently not been reported to occur in nature.

제조 방법

By the alkylation of ethyl acetoacetate with hexyl bromide or by any other suitable method. Uses: In public use since the 1950s. Use in fragrances in the USA amounts to approximately 10001b/yr.

상·하류 제품 정보

공급사59 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

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