3,3-Dimethylbutanal (HCID 76335)

개요

structure in first source

이름 및 식별자

우선 이름: 3,3-Dimethylbutanal
IUPAC: 3,3-dimethylbutanal
영어명: 3,3-dimethylbutanal
분자식: C6H12O
분자량: 100.16

이름 및 동의어

3,3-Dimethylbutyraldehyde3,3-dimethylbutanal2987-16-8CAM6HD7JKIDTXSID60183984RefChem:90813DTXCID00106475221-054-33,3-dimethyl-butyraldehydeButanal, 3,3-dimethyl-tert-ButylacetaldehydeMFCD00042807

이름 더 보기

Auger bromide3,3-Dimethylbutyraldehyde>3,3-Dimethylbutyraldehyde 95%3,3-DIMETHYL-BUTYRALDEHYDE,97+%

UNII-CAM6HD7JKIEINECS 221-054-33,3Dimethylbutyaldehyde3,3-DiMethyl-Butanal3,3-dimethylbutyraldehyd3,3-dimethylbutan-1-oneNeohexalButyraldehyde, 3,3-dimethyl-

데이터베이스 식별자

CAS: 2987-16-8
PubChem CID: 76335
DTXSID: DTXSID60183984
UNII: CAM6HD7JKI
EC Number: 221-054-3
Nikkaji: J205.280F

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 59.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: -72.5 °C · -72.5°C (estimate)
끓는 점: 104 · 104-106 °C (lit.)
밀도: 0.798 g/mL · 0.798 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.397(lit.)
인화점: 51 °F · 51 °F
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 액체
색상: 무색의
BRN: 1735829 · 1735829
안정성: Air Sensitive (Oxidize)
InChI: 1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3
InChIKey: LTNUSYNQZJZUSY-UHFFFAOYSA-N
SMILES: CC(C)(C)CC=O
NIST: 3 · 3,3-Dimethylbutyraldehyde(2987-16-8)

화학적 성질

Colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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

Aggregated GHS information provided per 55 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 1989 3/PG 2
HS 번호: 29121900
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-23
포장분류: II
위험 등급: 3.1
F 고인화성물질: 10-23
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

제조 방법

3,3-dimethylbutanal is prepared from 3,3-dimethylbutanol obtained by reduction of the corresponding carboxylic acid or 1,2-epoxy-3,3-dimethylbutane, or by hydrolysis of 1-halo-3,3-dimethylbutane.