올레 오일 클로라이드

Oleoyl chloride

HCID 5364783CAS 112-77-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)Cl
InChIKey: MLQBTMWHIOYKKC-KTKRTIGZSA-N
분자식: C18H33ClO
평균 분자량: 300.9 g/mol
단동위원소 질량: 300.22199336

이름 및 식별자

우선 이름: Oleoyl chloride
IUPAC: (Z)-octadec-9-enoyl chloride
현지명: 올레 오일 클로라이드
영어명: OLEOYL CHLORIDE
분자식: C18H33ClO
분자량: 300.91

이름 및 동의어

Oleoyl chlorideOleic acid chloride112-77-69-Octadecenoyl chloride, (Z)-Oleic chloride(9Z)-octadec-9-enoyl chlorideU83VP176UX9-Octadecenoyl chloride, (9Z)-EINECS 204-005-0NSC 97299NSC-97299cis-9-octadecenoyl chloride

이름 더 보기

올레오일클로라이드OleoyleoyLOleoylChloride>OLEIC ACID CHLORIDEOCTADECENOYLCHLORIDEOleoyl chloride >=89%9-OCTADECENOYL CHLORIDE(z)-9-octadecenoylchlorid

(Z)-9-Octadecenoyl chlorideEC 204-005-09-(Z)-OCTADECEN-1-OYL CHLORIDERefChem:8565329-Octadecenoyl chloride, (Z)-(9CI)204-005-0Oleyl chloride(Z)-octadec-9-enoyl chloride

데이터베이스 식별자

CAS: 112-77-6
PubChem CID: 5364783
DTXSID: DTXSID70893143
UNII: U83VP176UX
EC Number: 204-005-0
Nikkaji: J193.606I

물성

구조 계산 물성

XLogP: 8.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 15
무거운 원자 수: 20
형식 전하: 0
복잡도: 236

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

끓는 점: 193 °C/4 · 193 °C/4 mmHg (lit.)
밀도: 0.91 g/mL · 0.91 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.463(lit.)
인화점: 230 °F · >230 °F
저장 조건: 20 °C · −20°C
용해도: 클로로포름(약간 용해됨)
물리적 상태: 기름
Specific Gravity: 0.912 · 0.912
색상: 투명 무색 ~ 옅은 베이지
BRN: 1211748 · 1211748
안정성: 수분에 민감한
InChI: InChI=1S/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3/b10-9-
InChIKey: MLQBTMWHIOYKKC-KTKRTIGZSA-N
SMILES: C(Cl)(=O)CCCCCCC/C=C\CCCCCCCC
EPA: 9 · 9-Octadecenoyl chloride, (9Z)- (112-77-6)

화학적 성질

BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 63 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: 9-Octadecenoyl chloride, (Z)-

9-Octadecenoyl chloride, (9Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenoyl chloride, (9Z)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Cease Manufacture Update: 23-08-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6870

Oleoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 9-Octadecenoyl chloride, (Z)-: Human health tier I assessment

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
HS 번호: 29161900
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

U.S. Production2023: 500,000 - <1,000,000 lb

Industry UsesSurfactant (surface active agent)

General Manufacturing Information · 2건

Construction

9-Octadecenoyl chloride, (9Z)-: ACTIVE

응용 분야 · 2건

용도Oleoyl chloride may be used:in the chemical modification of the jute fibbers to confer hydrophobicity and resistance to biofibersin the synthesis of Oleoyl-S-lipoate, via reaction with dihydrolipoatein the preparation of symmetrical triglyceride, 2-oleoyl distearinin the preparation of ergosteryl oleate

일반 설명Oleoyl chloride is a fatty acid derivative.