Butyl palmitate

HCID 8090CAS 111-06-8

기본 정보

표준 SMILES: CCCCCCCCCCCCCCCC(=O)OCCCC
InChIKey: GLYJVQDYLFAUFC-UHFFFAOYSA-N
분자식: C20H40O2
평균 분자량: 312.5 g/mol
단동위원소 질량: 312.30283052

개요

Butyl hexadecanoate is a hexadecanoate ester obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of butanol. It has a role as an insect repellent, an animal metabolite and a plant metabolite.

이름 및 식별자

우선 이름: Butyl palmitate
IUPAC: butyl hexadecanoate
영어명: PALMITIC ACID N-BUTYL ESTER
분자식: C20H40O2
분자량: 312.53

이름 및 동의어

BUTYL PALMITATEButyl hexadecanoate111-06-8Hexadecanoic acid, butyl estern-Butyl palmitaten-Butyl hexadecanoatePalmitic acid, butyl esterDUQ37A5I26NSC 4815NSC-4815EINECS 203-829-8AI3-07959

이름 더 보기

ButylpalmittateButylPalmitate>Palmitic acid butylPALMITIC ACID N-BUTYDronedarone Impurity 53hexadecanoicacidbutylester

DTXSID3059395BUTYL PALMITATE [USP-RS]CHEBI:132549BUTYL PALMITATE (USP-RS)nButyl palmitatenButyl hexadecanoateRefChem:571772DTXCID9033189

데이터베이스 식별자

CAS: 111-06-8
PubChem CID: 8090
DTXSID: DTXSID3059395
ChEBI: CHEBI:132549
UNII: DUQ37A5I26
EC Number: 203-829-8
Nikkaji: J45.540G

물성

구조 계산 물성

XLogP: 8.7
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 18
무거운 원자 수: 22
형식 전하: 0
복잡도: 226

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Esters, Other

Flavoring AgentsEU Flavoring substances

Vapor Pressure0.0000172 [mmHg]

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical Description · 2건

Light yellow liquid or solid with a pleasant fruity odor; mp = 17 deg C; [Chem Service MSDS]

Liquid

물리화학적 성질

녹는점: 16.9 °C · 16.9°C
끓는 점: 170 °C · 170 °C / 10mmHg
밀도: 0.86 · 0.86
굴절률: 1.44 to · 1.4400 to 1.4440
인화점: 14 °C · 14 °C
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
주요 응용: 의약품(소분자)
화장품 원료 기능: 피부 컨디셔닝 - 보습제
InChI: 1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3
InChIKey: GLYJVQDYLFAUFC-UHFFFAOYSA-N
SMILES: O(CCCC)C(=O)CCCCCCCCCCCCCCC
LogP: 8.937 · 8.937 (est)
EPA: Hexadecanoic acid, butyl ester (111-06-8)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.

Not Classified

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Hexadecanoic acid, butyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Hexadecanoic acid, butyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazards SummaryMay cause irritation; [Chem Service MSDS]

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: WGK 3
tsca: TSCA listed
HS 번호: 2915700100
기존화학 물질: KE-04346
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationHexadecanoic acid, butyl ester: ACTIVE

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

연결된 노트

불러오는 중…