올레일올리에이트

Oleyl Oleate

HCID 5364672CAS 3687-45-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChIKey
BARWIPMJPCRCTP-CLFAGFIQSA-N
분자식
C36H68O2
평균 분자량
532.9 g/mol
단동위원소 질량
532.52193142

개요

Oleyl oleate is a wax ester obtained by the formal condensation of oleic acid and oleyl alcohol. It is functionally related to an oleic acid and a (9Z)-octadecen-1-ol.

이름 및 식별자

우선 이름
Oleyl Oleate
IUPAC
[(Z)-octadec-9-enyl] (Z)-octadec-9-enoate
현지명
올레일올리에이트
영어명
Oleic acid oleyl ester
분자식
C36H68O2
분자량
532.92

이름 및 동의어

Oleyl oleate3687-45-49Z-octadecenyl 9Z-octadecenoateSchercemol OLO9-Octadecenoic acid (Z)-, 9-octadecenyl ester, (Z)-COSMOL LIQUIDCHEBI:75626EXCEPARL OL-OLCRODAMOL OO-V9-Octadecenoic acid (9Z)-, (9Z)-9-octadecen-1-yl ester3X3L452Y85WE(18:1(9Z)/18:1(9Z))
이름 더 보기
올레일올리에이트Oleyl Oleate 95Oleyl Oleate OLOOleyl Oleate (0.5 mL)Oleyl Oleate 95 (125 mg)Oleic acid (Z)-9-octadecenyl esterOleic acid (9Z)-9-octadecenyl ester
RefChem:856564222-980-0Oleic acid oleyl esterCetiol(Z)-Octadec-9-enyl oleate(Z)-OCTADEC-9-EN-1-YL OLEATE[(Z)-octadec-9-enyl] (Z)-octadec-9-enoateOleyl oleate [NF]

데이터베이스 식별자

CAS
3687-45-4
PubChem CID
5364672
DTXSID
DTXSID20893537
ChEBI
CHEBI:75626
UNII
3X3L452Y85
EC Number
222-980-0
Nikkaji
J110.761E

물성

구조 계산 물성

XLogP
15.5
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
32
무거운 원자 수
38

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Cosmetics · 2건

Cosmetic ingredients (Oleyl Oleate) -> CIR (Cosmetic Ingredient Review)

Emollient

물리화학적 성질

녹는점
-7.1 °C · -7.1 °C
끓는 점
596.5 · 596.5±39.0 °C(Predicted)
밀도
0.86 g/cm3 · 0.8600 g/cm3(Temp: 30 °C)
굴절률
1.4618 · 1.4618 (25 °C)
저장 조건
-20 °C · -20°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 83.4% (196 of 235) of all reports.

Warning

H315 (16.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 235 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 9-Octadecenoic acid, 9-octadecenyl ester, (Z,Z)-

Status: Active Update: 25-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12441

9-Octadecenoic acid (9Z)-, (9Z)-9-octadecenyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 9-Octadecenoic acid, 9-octadecenyl ester, (Z,Z)-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (16.6%)

독성 정보

Toxicity Summary · 2건

The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.

Safe for use in cosmetics, with qualifications

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
2916151000
risk_code
36/37/38
safety_code
26
기존화학 물질
KE-26504

화학 및 산업

용도 및 제조

UsesCIR ingredient: Oleyl Oleate
Use ClassificationCosmetics -> Emollient
General Manufacturing Information9-Octadecenoic acid (9Z)-, (9Z)-9-octadecen-1-yl ester: ACTIVE

응용 분야

용도Oleyl Oleate is a synthetic analog of jojoba oil. Used as a wax ester for various applications.

공급사49 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

추가 설명

정의ChEBI: A wax ester obtained by the formal condensation of oleic acid and oleyl alcohol.

관련 반응

2건
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