CAS 27871-49-4 methyl (S)-lactate (HCID 94386)

이름 및 식별자

우선 이름: methyl (S)-lactate
IUPAC: methyl (2S)-2-hydroxypropanoate
영어명: Methyl (S)-(-)-lactate
분자식: C4H8O3
분자량: 104.1

이름 및 동의어

27871-49-4Methyl (S)-(-)-lactateMethyl L-lactate(S)-Methyl lactate(-)-Methyl lactateMethyl (S)-2-hydroxypropionate(S)-Lactic acid methyl estermethyl (S)-lactateMethyl (S)-2-hydroxypropanoateMethyl lactate, L-Propanoic acid, 2-hydroxy-, methyl ester, (2S)-(-)-Lactic acid methyl ester

이름 더 보기

L-Lactate(-)-METHYL L-LACTATE(-)-Methyl L-lactate(S)-Methyl 2-hydroxypropanoateMETHYL-(S)-LACTATEMETHYL L-(-)-LACTATE(2S)-2-Hydroxypropionic acid methyl ester

L-Methyl LactateL-lactic acid methyl ester(S)-(-)-methyl lactatemethyl (2S)-lactate(-)-2-Hydroxypropionic acid methyl esterLactic acid, methyl ester, L-L-lactate methyl esterEINECS 248-704-9

데이터베이스 식별자

CAS: 27871-49-4
PubChem CID: 94386
DTXSID: DTXSID9074359
ChEBI: CHEBI:83222
UNII: 0379G9C44S
EC Number: 248-704-9
Nikkaji: J183.056B

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 69

물리화학적 성질

녹는점: -66 °C · -66°C
끓는 점: 145 °C · 145 °C(lit.)
밀도: 1.092 g/mL · 1.092 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.414
인화점: 121 °F · 121 °F
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
물리적 상태: 액체
산도 계수 (pKa): 13.07 · 13.07±0.20(Predicted)
색상: 투명한
폭발한계: 2.2 % · 2.2%(V)
수용성: 혼화성, 가수분해
BRN: 1720587 · 1720587
화장품 원료 기능: 용제향료향수
InChI: 1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m0/s1
InChIKey: LPEKGGXMPWTOCB-VKHMYHEASA-N
SMILES: COC(=O)[C@H](C)O
LogP: -0.549 · -0.549 (est)
EPA: 2 · Propanoic acid, 2-hydroxy-, methyl ester, (2S)- (27871-49-4)

화학적 성질

Methyl (S)-(-)-lactate is clear liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]；H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Warning

유해성 정보

Regulatory Information · 5건

Chemical: Propanoic acid, 2-hydroxy-, methyl ester, (S)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5576

(S)-(-)-Methyl lactate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 3건

Flam. Liq. 3 (100%)；Eye Irrit. 2A (98.9%)；STOT SE 3 (100%)

Flammable liquid - category 3；Eye irritation - category 2；Specific target organ toxicity (single exposure) - category 3

Flam. Liq. 3；STOT SE 3；Eye Irrit. 2

규제 정보

Regulatory Information · 5건

Chemical: Propanoic acid, 2-hydroxy-, methyl ester, (S)-

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

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5576

(S)-(-)-Methyl lactate: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 1
tsca: TSCA listed
ridadr: UN 3272 3/PG 3
HS 번호: 29181100
risk_code: 10-36/37
hazard_code: Xi
safety_code: 24
포장분류: III
위험 등급: 3
F 고인화성물질: 21
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanoic acid, 2-hydroxy-, methyl ester, (2S)-: ACTIVE

응용 분야 · 2건

용도Methyl (S)-(-)-lactate is a methyl ester of L-Lactic acid.Methyl (S)-(-)-lactate is used in the synthesis of retinyl L-lactate by lipase-catalyzed transesterification .

일반 설명This compound has benign qualities and is biodegradable, water miscible, and functions as a versatile solvent for CA membrane preparation. This is also used as an intermediate for the production of other chemicals, polymers, and derivatives. Thus this product has been enhanced for Safer solvents and auxiliaries.