2-Methylpropyl-(R)-2-hydroxypropanoate

HCID 10486989

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 61597-96-4
표준 SMILES: CC(C)COC(=O)[C@@H](C)O
InChIKey: WBPAQKQBUKYCJS-ZCFIWIBFSA-N
분자식: C7H14O3
평균 분자량: 146.18 g/mol
단동위원소 질량: 146.0942943

개요

See also: 2-Methylpropyl (R)-2-hydroxypropanoate (annotation moved to).

이름 및 식별자

우선 이름: 2-Methylpropyl-(R)-2-hydroxypropanoate
IUPAC: 2-methylpropyl (2R)-2-hydroxypropanoate
영어명: (+)-Isobutyl D-lactate
분자식: C7H14O3
분자량: 146.18

이름 및 동의어

2-methylpropyl-(R)-2-hydroxypropanoateEC 407-770-0RefChem:476215Propanoic acid, 2-hydroxy-, 2-methylpropyl ester, (2R)-407-770-0(+)-Isobutyl D-lactate61597-96-4Isobutyl (R)-(+)-lactate2-METHYLPROPYL (2R)-2-HYDROXYPROPANOATE(R)-Isobutyl 2-hydroxypropanoateMFCD00012307(R)-2-Hydroxypropanoic acid 2-methylpropyl ester

이름 더 보기

Propanoicacid,2-hydroxy-,2-methylpropylesterD-LIB(R)-ISOBUTYL LACTATEISOBUTYL-(R)-LACTATE(+)-IsobutylD-lactate(D)-(+)-ISOBUTYL LACTATE(R)-Isobutyllactate (D-LIB)

(R)-(+)-Isobutyl D-lactateIsobutyl (R)-2-hydroxypropionateR-(+)-Lactic acid isobutyl ester(R)-IsobutyllactateIsobutyl (R)-lactate(R)-(+)-IsobutyllactatSCHEMBL2896520DTXSID601204643

데이터베이스 식별자

CAS: 61597-96-4
PubChem CID: 10486989
DTXSID: DTXSID601204643
EC Number: 407-770-0
Nikkaji: J70.542J

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 109

물리화학적 성질

끓는 점: 73 °C13 · 73 °C13 mm Hg(lit.)
밀도: 0.974 g/mL · 0.974 g/mL at 20 °C(lit.)
증기압: 50 Pa · 50Pa at 20℃
굴절률: 20 · n20/D 1.419(lit.)
인화점: 152 °F · 152 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 13.04 · 13.04±0.20(Predicted)
물리적 상태: liquid
수용성: 56.5 g/L · 56.5g/L at 20℃
BRN: 1721591 · 1721591
InChI: 1S/C7H14O3/c1-5(2)4-10-7(9)6(3)8/h5-6,8H,4H2,1-3H3/t6-/m1/s1
InChIKey: WBPAQKQBUKYCJS-ZCFIWIBFSA-N
SMILES: CC(C)COC(=O)[C@@H](C)O
LogP: 0.73 at · 0.73 at 20℃
NIST: R-(+)-isobutyl lactate(61597-96-4)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (99.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 341 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

REACH registered substance: 2-methylpropyl-(R)-2-hydroxypropanoate (EC: 407-770-0)

(+)-Isobutyl-D-lactate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Irrit. 2 (99.4%)

안전 데이터

wgk: 3
ridadr: NA 1993 / PGIII
risk_code: 36
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

상·하류 제품 정보

상류 원료

이소부틸피루베이트 이소부탄올

공급사52 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

화합물 노트

불러오는 중…