(S)-(-)-2-하이드록시-3,3-디메틸부티르산

(2S)-2-hydroxy-3,3-dimethylbutanoic acid

HCID 11097105

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 21641-92-9
표준 SMILES: CC(C)(C)[C@H](O)C(=O)O
InChIKey: FWVNWTNCNWRCOU-SCSAIBSYSA-N
분자식: C6H12O3
평균 분자량: 132.16 g/mol

이름 및 식별자

우선 이름: (2S)-2-hydroxy-3,3-dimethylbutanoic acid
IUPAC: (2S)-2-hydroxy-3,3-dimethylbutanoic acid
현지명: (S)-(-)-2-하이드록시-3,3-디메틸부티르산
영어명: (S)-(-)-2-Hydroxy-3,3-dimethylbutyric acid
분자식: C6H12O3
분자량: 132.16

이름 및 동의어

21641-92-9(2S)-2-hydroxy-3,3-dimethylbutanoic acidRefChem:398444624-886-9(S)-2-hydroxy-3,3-dimethylbutanoic acid(S)-(-)-2-Hydroxy-3,3-dimethylbutyric acidMFCD00192212(S)-(-)-2-Hydroxy-tert-butylacetic acid(S)-2-hydroxy-3,3-dimethyl-butyric acid(2S)-2-hydroxy-3,3-dimethyl-butanoic acid851866-86-9Butanoic acid, 2-hydroxy-3,3-dimethyl-, (2S)-

이름 더 보기

(S)-(-)-2-하이드록시-3,3-디메틸부티르산(2S)-2-Hydroxy-3,3-dimethylbutyric acid(S)-(-)-2-Hydroxy-3,3-dimethylbutyric acid 97%(S)-(?)-2-Hydroxy-3,3-dimethylbutyric acid

G8ISCHEMBL640168FWVNWTNCNWRCOU-SCSAIBSYSA-NWAA64192AKOS016846181CS-W005786DS-5093(S)-2-hydroxy-3,3-dimethylbutanoicacid

데이터베이스 식별자

CAS: 21641-92-9
PubChem CID: 11097105
EC Number: 624-886-9
Nikkaji: J955.960D

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 112

물리화학적 성질

녹는점: 48 · 48-50 °C (lit.)
끓는 점: 242.4 · 242.4±13.0 °C(Predicted)
밀도: 1.1 · 1.100±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 3.91 · 3.91±0.27(Predicted)
InChI: 1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1
InChIKey: FWVNWTNCNWRCOU-SCSAIBSYSA-N
SMILES: CC(C)(C)[C@H](O)C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.