기본 정보
- CAS
59558-23-5- 표준 SMILES
CCCCCCCC(=O)Oc1ccc(C)cc1- InChIKey
ALRYNTSLFYRKGF-UHFFFAOYSA-N- 분자식
- C15H22O2
- 평균 분자량
- 234.33 g/mol
- 단동위원소 질량
- 234.16197994
개요
4-Methylphenyl octanoate is a member of phenols and a benzoate ester.
이름 및 식별자
- 우선 이름
- p-Cresyl octanoate
- IUPAC
- (4-methylphenyl) octanoate
- 현지명
- 옥탄노익산파라토릴에스테르
- 영어명
- n-Octanoic acid p-tolyl ester
- 분자식
- C15H22O2
- 분자량
- 234.33
이름 및 동의어
p-Tolyl octanoatep-Cresyl octanoate4-Methylphenyl octanoatep-Cresyl caprylatep-Tolyl n-octanoaten-Octanoic acid p-tolyl esterNarcissin KOctanoic acid, 4-methylphenyl esterpara-Tolyl octanoateMethylphenyl octanoate, p-Tolyl octanoate, P-Cresyl octanoate, p-
이름 더 보기
옥탄노익산파라토릴에스테르p-톨일 옥타노에이트N-옥탄산P-톨릴에스테르FEMA 3733Nsc24727Wln: 7vor D1P-TOLYL CAPRYLATEp-cresyloctanoatep-Cresyl capyrlate
FEMA No. 3733EINECS 261-803-1p-Cresyl capryrateUNII-065NCY25ZEBRN 3270557065NCY25ZEAI3-31049NSC-24727
데이터베이스 식별자
- CAS
59558-23-5- PubChem CID
- 43046
- DTXSID
DTXSID9052262- ChEBI
CHEBI:196146- UNII
- 065NCY25ZE
- EC Number
- 261-803-1
- Nikkaji
- J65.651H
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 205
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (p-Tolyl octanoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.952-0.960
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in oils
miscible (in ethanol)
Boiling Point265 °C
Refractive Index1.478-1.488
Physical DescriptionColourless oily liquid
물리화학적 성질
- 끓는 점
- 175 °C · 175 °C / 12mmHg
- 밀도
- 0.95 · 0.95
- 굴절률
- 1.484 · 1.4840-1.4860
- FEMA
- 3733 · 3733 | P-TOLYL OCTANOATE
- 인화점
- 168 °C · 168 °C
- 용해도
- Almost insoluble in water. soluble in alcohol and oils.
- 색상
- Colorless oily liquid.
- 냄새
- 1 % · 디프로필렌 글리콜 중 1.00%. 동물 배설물 건초 일랑 재스민 인돌 녹색
- 냄새 유형
- 동물
- JECFA Number
- 703 · 703
- 화장품 원료 기능
- 향수
- LogP
- 5.2 · 5.20
- EPA
- 4 · Octanoic acid, 4-methylphenyl ester (59558-23-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1603 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Octanoic acid, 4-methylphenyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Octanoic acid, 4-methylphenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Octanoic acid, 4-methylphenyl ester: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- tsca
- TSCA listed
- rtecs
- RH0787500
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationOctanoic acid, 4-methylphenyl ester: ACTIVE
응용 분야
용도p-Tolyl n-Octanoate is very useful in floral perfume bases, where green-herbaceous, mild og oily undertones should accompany the distinctly floral notes. Blends well with Indole, with Rose bases, Jasmin bases, Lily, Hyacinth and Narcissus, etc. The odor effect is persistent yet very discrete, provided the ester is free from Caprylic acid, and free from Cresol.
제조 방법
From p-cresol and octanoic acid, using phosphorus oxychloride as a catalyst.
공급사25 곳
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