2-Hydroxyhexanoic acid

HCID 99824CAS 6064-63-7

기본 정보

표준 SMILES: CCCCC(O)C(=O)O
InChIKey: NYHNVHGFPZAZGA-UHFFFAOYSA-N
분자식: C6H12O3
평균 분자량: 132.16 g/mol
단동위원소 질량: 132.07864424

개요

2-hydroxyhexanoic acid is a hydroxy fatty acid that is caproic (hexanoic) acid substituted by a hydroxy group at position 2. It has a role as an animal metabolite. It is functionally related to a hexanoic acid. It is a conjugate acid of a 2-hydroxyhexanoate.

이름 및 식별자

우선 이름: 2-Hydroxyhexanoic acid
IUPAC: 2-hydroxyhexanoic acid
현지명: 2-하이드록시카프로산
영어명: 2-Hydroxyhexanoic acid
분자식: C6H12O3
분자량: 132.16

이름 및 동의어

2-Hydroxyhexanoic acid2-hydroxycaproic acidDL-2-Hydroxycaproic acidDL-2-Hydroxyhexanoic acidDL-alpha-Hydroxycaproic acidHexanoic acid, 2-hydroxy-L58MR7E927EINECS 227-991-4DL-.ALPHA.-HYDROXYCAPROIC ACIDNSC-227903CHEBI:86542DTXSID90863686

이름 더 보기

2-하이드록시카프로산2-Hydroxycapoic acidHydroxycaproic acid.DL-A-HYDROXYCAPROIC ACID2-Hydroxyhexanoic acid 98%DL-2-HYDROXYCAPROICACID,95+%DL-α-Hydroxycaproic acid ,95%DL-ALPHA-HYDROXYCAPROIC ACID, 95

NSC 227903RefChem:473454DTXCID10812272(+-)-2-HYDROXYCAPROIC ACID2-HYDROXYCAPROIC ACID, (+-)-227-991-4(2S)-2-hydroxyhexanoic acid6064-63-7

데이터베이스 식별자

CAS: 6064-63-7
PubChem CID: 99824
DTXSID: DTXSID90863686
ChEBI: CHEBI:86542
UNII: L58MR7E927
EC Number: 227-991-4
Nikkaji: J227.277F

물성

구조 계산 물성

XLogP: 1
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 90.3

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]

LogP0.81

Melting Point55 - 58 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 60 · 60-62 °C(lit.)
끓는 점: 277.83 °C · 277.83°C (rough estimate)
밀도: 1.016 · 1.0160 (rough estimate)
굴절률: 1.4828 · 1.4828 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 20 °C · −20°C
용해도: 메탄올(약간 용해됨), 물(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.86 · 3.86±0.21(Predicted)
색상: 흰색에서 황백색까지
InChI: 1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
InChIKey: NYHNVHGFPZAZGA-UHFFFAOYSA-N
SMILES: CCCCC(O)C(O)=O

화학적 성질

white powder

안전 및 규제

유해성 정보

Regulatory InformationHexanoic acid, 2-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

안전 데이터

wgk: 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Hydroxyhexanoic acid was used in the synthesis of aliphatic copolyesters.

일반 설명Solubility of 2-hydroxyhexanoic acid in supercritical CO2 has been studied.

상·하류 제품 정보

상류 원료

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

盐城通铭生物科技有限公司15195160625 · [email protected]

ShanghaiFineBiotechCoLtd+8618717800556 18717800556 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

추가 설명

정의ChEBI: A hydroxy fatty acid that is caproic (hexanoic) acid substituted by a hydroxy group at position 2.

연결된 노트

불러오는 중…