CAS 19549-87-2 2,4-Dimethyl-1-heptene (HCID 123385)

基本情報

CAS: 19549-87-2
標準SMILES: C=C(C)CC(C)CCC
InChIKey: CZGAOHSMVSIJJZ-UHFFFAOYSA-N
分子式: C9H18
平均分子量: 126.24 g/mol
単同位体質量: 126.14085058

概要

2,4-dimethyl-1-heptene is an alkene that is 2-methylhept-1-ene carrying a methyl group at position 4. It has a role as an animal metabolite and a human metabolite. It is a volatile organic compound and an alkene. It derives from a hydride of a heptane.

名称と識別子

優先名称: 2,4-Dimethyl-1-heptene
IUPAC: 2,4-dimethylhept-1-ene
現地名: 2,4-ジメチル-1-ヘプテン
英語名: 2,4-DIMETHYL-1-HEPTENE
分子式: C9H18
分子量: 126.24

名称と別名

2,4-Dimethyl-1-heptene19549-87-22,4-dimethylhept-1-ene1-Heptene, 2,4-dimethyl-2,4-Dimethyl-1-heptenCHEBI:141563DTXSID908648952,4Dimethyl1hepteneRefChem:443722DTXCID30813362679-722-9InChI=1/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H

名称をさらに表示

2,4-ジメチル-1-ヘプテン2,4-ジメチルヘプタ-1-エン2,4-Dimethyl-1-heptene >2,4-DIMETHYL-1-HEPTENE 95+%

MFCD000592501-Heptene, 2,4-dimethylSCHEMBL3064100SCHEMBL6416288SCHEMBL8731397SCHEMBL10493581SCHEMBL10493582162071-21-8

データベース識別子

CAS: 19549-87-2
PubChem CID: 123385
DTXSID: DTXSID90864895
ChEBI: CHEBI:141563
EC Number: 679-722-9
Nikkaji: J147.973C

物性

構造計算による物性

XLogP: 4.4
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 4
重原子数: 9
形式電荷: 0
複雑度: 82

実験および物理化学的性質

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

Physical DescriptionLiquid; [ChemSampCo MSDS]

物理化学的性質

沸点: 134 °C · 134 °C
比重(密度): 0 · 0,73 g/cm3
屈折率: 1.416 · 1.4160-1.4190
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: clear liquid
色: Colorless to Almost colorless
EPAの化学物質情報: 1 · 1-Heptene, 2,4-dimethyl- (19549-87-2)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazards SummaryHighly flammable; Overexposure may cause skin and eye irritation; May have anesthetic effects (drowsiness, dizziness, and headache); [ChemSampCo MSDS] See 1-Heptene.

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

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

ridadr: 3295
hs_code: 2901290000
risk_code: 10
化審法: (2)-25
消防法: 危-4-2-III
safety_code: 16
hazard_class: 3
packing_group: II

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