기본 정보
- 표준 SMILES
CC(C)CCCCCCCCC(=O)O- InChIKey
QJRRBVNPIKYRQJ-UHFFFAOYSA-N- 분자식
- C12H24O2
- 평균 분자량
- 200.32 g/mol
- 단동위원소 질량
- 200.17763001
개요
10-methylundecanoic acid is a methyl-branched fatty acid that is undecanoic acid substituted by a methyl group at position 10. It is a branched-chain saturated fatty acid, a medium-chain fatty acid and a methyl-branched fatty acid. It is functionally related to an undecanoic acid.
이름 및 식별자
- 우선 이름
- 10-Methylundecanoic acid
- IUPAC
- 10-methylundecanoic acid
- 영어명
- 10-METHYLUNDECANOIC ACID
- 분자식
- C12H24O2
- 분자량
- 200.32
이름 및 동의어
10-Methylundecanoic acid2724-56-310-methylundecylic acidCHEBI:84889DTXSID70181693RefChem:437050DTXCID10104184636-654-4isolauric acidUndecanoic acid, 10-methyl-Isoundecanoic acid10-methyl-undecanoic acid
이름 더 보기
JARIC I-12
Isododecanoic acidUndecanoic acid,10-methyl-10-METHYLUNDECANOICACID10-methylundecanoicaciAI3-0599910-methyl-hendecanoic acidSCHEMBL839386SCHEMBL10800219
데이터베이스 식별자
- CAS
2724-56-3- PubChem CID
- 75942
- DTXSID
DTXSID70181693- ChEBI
CHEBI:84889- EC Number
- 636-654-4
- Nikkaji
- J330.690I
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 141
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
물리화학적 성질
- 녹는점
- 38 · 38-39 °C
- 끓는 점
- 293.36 °C · 293.36°C (estimate)
- 밀도
- 0.891 · 0.8910 (rough estimate)
- 굴절률
- 1.4251 · 1.4251 (estimate)
- 저장 조건
- 20 °C · −20°C
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 4.78 · 4.78±0.10(Predicted)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H315 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
화학 및 산업
공급사18 곳
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
苏州西博利生物科技有限公司17326194005
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
天门恒昌化工有限公司027-59322316 15172518801 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
추가 설명
정의ChEBI: A methyl-branched fatty acid that is undecanoic acid substituted by a methyl group at position 10.
관련 반응
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