Hexanoic anhydride (HCID 74918)

개요

hexanoic anhydride has been reported in Nicotiana tabacum with data available.

이름 및 식별자

우선 이름: Hexanoic anhydride
IUPAC: hexanoyl hexanoate
영어명: HEXANOIC ANHYDRIDE
분자식: C12H22O3
분자량: 214.3

이름 및 동의어

Hexanoic anhydride2051-49-2hexanoyl hexanoateCaproic anhydrideHexanoic acid, anhydrideHexanoic acid, 1,1'-anhydriden-Hexanoic anhydrideCaproic acid anhydrideCapronic acid anhydrideCapronic anhydrideHexanoyl anhydriden-Hexanoic acid anhydride

이름 더 보기

hexanoylhexanoateN-HEXOIC ANHYDRIDEn-CapriocanhydrideN-CAPROIC ANHYDRIDEN-CAPRONIC ANHYDRIDE

GG70Y8LTBYEINECS 218-121-4AI3-06132DTXSID20870929EC 218-121-4RefChem:787419Hexanoic acid, 1,1'anhydrideDTXCID30818610

데이터베이스 식별자

CAS: 2051-49-2
PubChem CID: 74918
DTXSID: DTXSID20870929
UNII: GG70Y8LTBY
EC Number: 218-121-4
Nikkaji: J95.911A

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 10
무거운 원자 수: 15
형식 전하: 0
복잡도: 167

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Acid Anhydrides, Other

Industrial compound

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionClear slightly yellow liquid; [Acros Organics MSDS]

물리화학적 성질

녹는점: -40 °C · -40 °C
끓는 점: 246 · 246-248 °C (lit.)
밀도: 0.928 g/mL · 0.928 g/mL at 20 °C (lit.)
증기압: 2.9 Pa · 2.9Pa at 25℃
굴절률: 20 · n20/D 1.428(lit.)
인화점: 230 °F · >230 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 1 g/10mL, · 에탄올: 용해성1g/10mL, 투명, 무색
물리적 상태: 액체
색상: 무색투명~연황색
폭발한계: 0.7 % · 0.7%(V)
수용성: 물에서 가수분해됩니다.
BRN: 1776561 · 1776561
InChI: 1S/C12H22O3/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h3-10H2,1-2H3
InChIKey: PKHMTIRCAFTBDS-UHFFFAOYSA-N
SMILES: CCCCCC(=O)OC(=O)CCCCC
LogP: 4.45 at · 4.45 at 25℃
EPA: Hexanoic acid, anhydride (2051-49-2)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (96.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Hexanoic acid, anhydride

Status: Active Update: 02-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23159

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

Other Safety InformationIMAP assessments - Hexanoic acid, anhydride: Environment tier I assessment

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS] See Butyric anhydride.

Hazard Classes and CategoriesSkin Corr. 1B (96.7%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
HS 번호: 29159000
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationHexanoic acid, 1,1'-anhydride: ACTIVE

응용 분야

용도Hexanoic anhydride has been used in:green synthesis of esters of acyclovir (acyclovir prodrugs)preparation of hexanoyl-modified chitosan nanoparticles and chitosan-based polymeric surfactants via N-acylation of chitosans

제조 방법 · 1건

To an ice-cooled flask containing 116 gm (1.0 mole) of n-caproic acid is added 21.0-23.10 gm (0.5-0.55 mole) of ketene at a rate of 0.45 mole/hr. The reaction mixture is fractionally distilled at atmospheric pressure to afford a forecut of acetone, acetic acid, and acetic anhydride. The oil bath is raised to 220°C over a 1-hr period, kept there for 3 hr to ensure complete removal of acetic acid, and then cooled. The distillation is continued under reduced pressure to afford 86-95 gm (80-87%), b.p. 109- 112°C (3 mm Hg) and b.p. 118-121°C (6 mm Hg).