무수이소부틸산

Isobutyric anhydride

HCID 7346CAS 97-72-3

기본 정보

표준 SMILES
CC(C)C(=O)OC(=O)C(C)C
InChIKey
LSACYLWPPQLVSM-UHFFFAOYSA-N
분자식
C8H14O3
평균 분자량
158.19 g/mol
단동위원소 질량
158.09429431

개요

Isobutyric anhydride appears as a colorless liquid. Burns skin and eyes. Vapors are heavier than air.

이름 및 식별자

우선 이름
Isobutyric anhydride
IUPAC
2-methylpropanoyl 2-methylpropanoate
현지명
무수이소부틸산
영어명
Isobutyric anhydride
분자식
C8H14O3
분자량
158.2

이름 및 동의어

Isobutyric anhydride97-72-3Isobutyric acid anhydride2-METHYLPROPANOIC ANHYDRIDEPropanoic acid, 2-methyl-, anhydrideIsobutyryl anhydride2-Methylpropionic anhydrideisobutanoic anhydride2-Methylpropanoic acid anhydrideDTXSID7026609N85A80FJDTHSDB 5309
이름 더 보기
2-메틸프로판오익무수물무수아이소부티르산무수이소부틸산무수아이소부티르산2-메틸프로판오익 무수물이소부티르산무수물Isobutylic anhydrideDi(isobutyric acid)anhydrideIsobutyric anhydride, distilled(iso-C3H7CO)2OisobutyryloxideIsobutyl Anhydridesobutyric anhydride
Propanoic acid, 2-methyl-, 1,1'-anhydrideEINECS 202-603-6UN2530AI3-28521DTXCID406609CHEBI:84261EC 202-603-6ISOBUTYRIC ACID ANHYDRIDE [HSDB]

데이터베이스 식별자

CAS
97-72-3
PubChem CID
7346
DTXSID
DTXSID7026609
ChEMBL
CHEMBL1871691
ChEBI
CHEBI:84261
UNII
N85A80FJDT
EC Number
202-603-6
Nikkaji
J38.161F

물성

구조 계산 물성

XLogP
2
극성 표면적
43.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
11

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Acid Anhydrides, Other

Flammable agents - 2nd degree

SpringerMaterials PropertiesDielectric constant
Density · 2건

0.9535 @ 20 °C/4 °C

0.9535 @ 20°C

Color/FormLIQUID
SolubilitySOL IN ALL PROP IN ETHER
Flash Point · 3건

139 °F (NFPA, 2010)

59.4 °C

139 °F

물리화학적 성질

녹는점
-56 °C · -56 °C (lit.)
끓는 점
182 °C · 182 °C (lit.)
밀도
0.954 g/mL · 0.954 g/mL at 25 °C (lit.)
증기 밀도
5.45 · 5.45 (vs air)
증기압
10 mm · 10 mm Hg ( 67 °C)
굴절률
20 · n20/D 1.406(lit.)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 9.8% (37 of 376) of reports.

Danger

H301 (17.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 376 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 5건

Chemical: Propanoic acid, 2-methyl-, anhydride

Propanoic acid, 2-methyl-, 1,1'-anhydride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2-methyl-, 1,1'-anhydride are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 09-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13208

2-Methylpropionic anhydride: 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.)

DOT LabelFlammable Liquid Corrosive
Fire HazardsExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Health HazardsExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Hazards Summary · 1건

May cause burns to skin and eyes; [CAMEO] Reacts with moisture of the body to form butyric acid; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; [CHEMINFO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; Can be absorbed through skin; [MSDSonline]

Reactive GroupAnhydrides

안전 및 보호

Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
First AidExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Isolation and EvacuationExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Protective Action Criteria (PAC) · 3건

6.7 [mg/m3]

74 [mg/m3]

440 [mg/m3]

Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

독성 정보

Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity Excerpts · 3건

THEIR PHYSIOLOGICAL EFFECTS GENERALLY RESEMBLE THOSE OF CORRESPONDING ACIDS, THEY ARE MORE POTENT EYE IRRITANTS IN VAPOR PHASE, & MAY PRODUCE CHRONIC CONJUNCTIVITIS. /ACID ANHYDRIDES/

REPEATED EXPOSURE TO ANHYDRIDES OF ORGANIC ACIDS CAN BE THE CAUSE OF ALLERGIC CONTACT DERMATITIS. /ANHYDRIDES OF ORG ACID/

STRONG IRRITANT TO TISSUE.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
NQ5550000
ridadr
2922
독성
LD50 orally in Rabbit: 266 mg/kg LD50 dermal Rabbit 475 mg/kg
HS 번호
2915 90 70

화학 및 산업

용도 및 제조

Uses · 3건

Used as a chemical intermediate and flavor/aroma enhancer; [HSDB] Used for the esterification of cellulose and sucrose and to make odorants, peroxide catalysts, flavors, and perfumes; [CHEMINFO]

CHEMICAL INTERMEDIATE

Patented for use as flavor and/or aroma enhancer

U.S. Production2023: 8,500,000 - <25,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

Propanoic acid, 2-methyl-, 1,1'-anhydride: ACTIVE

응용 분야

용도Isobutyric anhydride was used in the synthesis of 4-O-isobutyryl derivative via reaction with octyl β-D-glucopyranoside in the presence of C2-symmetric chiral 4-pyrrolidinopyridine as a catalyst.

일반 설명Isobutyric anhydride is a colorless liquid. Flash point 139°F. Burns skin and eyes. Vapors are heavier than air.

제조 방법

Isobutyric anhydride is prepared from iso-Butyryl chloride and Sodium acetate, or: from iso-Butyryl chloride and Butyric acid with a catalyst.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海伟聂化工科技有限公司13046668259 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

추가 설명

정의ChEBI: An acyclic carboxylic anhydride of isobutyric acid. Metabolite observed in cancer metabolism.

관련 반응

34건

연결된 노트

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