(+-)-2-Mercaptopropionic acid

HCID 62326CAS 79-42-5

기본 정보

표준 SMILES
CC(S)C(=O)O
InChIKey
PMNLUUOXGOOLSP-UHFFFAOYSA-N
분자식
C3H6O2S
평균 분자량
106.15 g/mol
단동위원소 질량
106.00885043

개요

Thiolactic acid appears as an oily liquid with an unpleasant odor. Toxic by ingestion and skin absorption. Used as a depilatory and in hair waving preparations.

이름 및 식별자

우선 이름
(+-)-2-Mercaptopropionic acid
IUPAC
2-sulfanylpropanoic acid

이름 및 동의어

2-Mercaptopropionic acidThiolactic acid79-42-52-Mercaptopropanoic acid2-Thiolactic acidalpha-Mercaptopropionic acidPROPANOIC ACID, 2-MERCAPTO-Propionic acid, 2-mercapto-O5U6967KGFCHEBI:47872DTXSID80861636RefChem:897821
이름 더 보기
(+-)-2-Mercaptopropionic acidDTXCID30810533201-206-52-Sulfanylpropanoic acid2-Thiolpropionic acidalpha-Mercaptopropanoic acidTiopronin Impurity B2-mercapto-propionic acid

데이터베이스 식별자

CAS
79-42-5
PubChem CID
62326
DTXSID
DTXSID80861636
ChEMBL
CHEMBL2158192
ChEBI
CHEBI:47872
UNII
O5U6967KGF
EC Number
201-206-5
Nikkaji
J4.231E

물성

구조 계산 물성

XLogP
0.5
극성 표면적
38.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Organic Acids

Flammable agents - 2nd degree

CosmeticsDepilatory; Hair waving or straightening; Reducing; Antioxidant
FragrancesFragrance Ingredient (2-Mercaptopropionic acid) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.192-1.200
Flavoring AgentsEU Flavoring substances

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (86.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1491 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Propanoic acid, 2-mercapto-

Status: Active Update: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26263

2-Mercaptopropionic acid: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelPoison
Fire Hazards · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· Combustible material: may burn but does not ignite readily.

Health Hazards · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] Toxic by ingestion and skin absorption; [CAMEO] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by ingestion; [Alfa Aesar MSDS]

안전 및 보호

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and Evacuation · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Immediate precautionary measure

독성 정보

Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLCLo (rat) = 700 ppm

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Uses · 2건

Used in depilatory and hair waving products; [Merck Index] Used as a flavoring agent; [FDA]

Dressing Hair [Category: Other]

Household ProductsInformation on 7 consumer products that contain Thiolactic acid in the following categories is provided:
Use Classification · 6건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPropanoic acid, 2-mercapto-: ACTIVE

관련 반응

34건

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