CAS 1538-75-6 Pivalic anhydride (HCID 15234)

이름 및 식별자

우선 이름: Pivalic anhydride
IUPAC: 2,2-dimethylpropanoyl 2,2-dimethylpropanoate
영어명: Trimethylacetic anhydride
분자식: C10H18O3
분자량: 186.25

이름 및 동의어

Trimethylacetic anhydridePivalic anhydride1538-75-6DTXSID601014577RefChem:899797DTXCID00818566216-263-12,2-dimethylpropanoyl 2,2-dimethylpropanoate2,2-Dimethylpropionic anhydridePropanoic acid, 2,2-dimethyl-, anhydride2,2-Dimethylpropanoic anhydrideMFCD00008842

이름 더 보기

Bis(pivalic)anhydrideBis(2,2-dimethylpropionic)anhydride2,2-DimethylpropanoicanhydridePivolic AnhydrideDipivalic anhydridePivalicAnhydride>

Trimethylacetic Anhydride1538-75-6pivalic acid anhydridePivalicanhydridePivalic anydrideEINECS 216-263-1Piv2OAdefovir Impurity 34SCHEMBL65267

데이터베이스 식별자

CAS: 1538-75-6
PubChem CID: 15234
DTXSID: DTXSID601014577
EC Number: 216-263-1
Nikkaji: J137F

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 191

실험 및 물리화학적 성질

Density0.918 @25 °C

Boiling Point193 °C @760 [mm Hg]

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index1053

물리화학적 성질

끓는 점: 193 °C · 193 °C(lit.)
밀도: 0.918 g/mL · 0.918 g/mL at 25 °C(lit.)
증기압: 62.1 Pa · 62.1Pa at 25℃
굴절률: 20 · n20/D 1.409(lit.)
인화점: 135 °F · 135 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 아세토니트릴과 혼합 가능.
물리적 상태: 액체
색상: 무색의
BRN: 386552 · 386552
InChI: InChI=1S/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3
InChIKey: PGZVFRAEAAXREB-UHFFFAOYSA-N
SMILES: C(C)(C)(C)C(=O)OC(=O)C(C)(C)C
LogP: 2.15 · 2.15
EPA: 2 · Propanoic acid, 2,2-dimethyl-, anhydride (1538-75-6)

화학적 성질

clear colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (27.5%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (69.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (30.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (69.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (69.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (69.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (69.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 153 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 3건

Chemical: Propanoic acid, 2,2-dimethyl-, anhydride

Status: Active Update: 20-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19613

Pivalic anhydride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS] See ACID ANHYDRIDES.

Hazard Classes and CategoriesFlam. Liq. 3 (27.5%)；Acute Tox. 4 (69.3%)；Skin Corr. 1B (30.7%)；Skin Irrit. 2 (69.3%)；Skin Sens. 1 (69.3%)；Eye Irrit. 2 (69.3%)；STOT SE 3 (69.3%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

규제 정보

Regulatory Information · 3건

Chemical: Propanoic acid, 2,2-dimethyl-, anhydride

Status: Active Update: 20-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19613

Pivalic anhydride: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
HS 번호: 29159000
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 9-13-21
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanoic acid, 2,2-dimethyl-, 1,1'-anhydride: ACTIVE

응용 분야 · 2건

개요Trimethylacetic anhydride is a pivalic acid derivative that is used in organic synthesis. The compound's reaction mechanism is believed to be the formation of an alkanoic acid, which reacts with a hydroxyl group to form an anhydride. Trimethyl acetic anhydride has been shown to have pharmacokinetic properties and can be used as a nonsteroidal anti-inflammatory drug. This compound has also been found to have a matrix effect on crystalline cellulose and is capable of forming nitrogen-containing carboxylic acids.

용도Trimethylacetic anhydride was used:in solid-phase oligonucleotide synthesisin kinetic resolution of racemic 2-hydroxy-γ-butyrolactones with diphenylacetic acidas acylation and esterification reagent for anilinesas acylation and esterification reagent for phenols

상·하류 제품 정보

하류 제품

1-BOC-1,10-디아미노데칸 센티폴 NT-BOC-피롤 1-BOC-1,12-디아미노도데칸 N-(2-Hydroxyethyl)-2,2-dimethylpropanamide(WXC08449)N-(pivaloyloxy)benzamide N-Boc-4-ethyl-DL-phenylalanine

공급사100 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]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

화합물 노트

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Pivalic anhydride

기본 정보