2,5-Dimethylbenzaldehyde (HCID 22015)

名称と識別子

優先名称: 2,5-Dimethylbenzaldehyde
IUPAC: 2,5-dimethylbenzaldehyde
現地名: 2,5-ジメチルベンズアルデヒド
英語名: 2,5-Dimethylbenzaldehyde
分子式: C9H10O
分子量: 134.18

名称と別名

2,5-DIMETHYLBENZALDEHYDE5779-94-2Isoxylaldehyde6M224X1615DTXSID0075449RefChem:444563DTXCID4042258227-303-2Benzaldehyde, 2,5-dimethyl-MFCD00003342UNII-6M224X1615EINECS 227-303-2

名称をさらに表示

2,5-ジメチルベンズアルデヒドイソキシルアルデヒドイソオキシルアルデヒド2，5ジメトキシベンズアルデヒド2,5-ジメチルベンズアルデヒド, 98%25 DMBTIMTEC-BB SBB0084352,5-Dimethylbenzaldehyde-98%2,5-Dimethylbenzaldehyde,95%2,5-DIMETHYLBENZALDEHYDE 99%2,5-Dimethylbenzaldehyde Solution in Acetonitrile

SCHEMBL268706orb3023480SCHEMBL13148142,5-Dimethylbenzaldehyde, 99%CHEBI:173203SBB008435TN9539AKOS000120289

データベース識別子

CAS: 5779-94-2
PubChem CID: 22015
DTXSID: DTXSID0075449
ChEBI: CHEBI:173203
UNII: 6M224X1615
EC Number: 227-303-2
Nikkaji: J101.127H

物性

構造計算による物性

XLogP: 2.1
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 120

実験および物理化学的性質

Physical DescriptionColorless to yellow liquid; [MSDSonline]

Kovats Retention Index · 3 件

1154；1159；1137

1208；1208

1705；1680；1683

物理化学的性質

沸点: 104.5 · 104.5-106.5 °C/14 mmHg (lit.)
比重(密度): 0.95 g/mL · 0.95 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.544(lit.)
闪点: 190 °F · 190 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: アセトニトリル（微量）、クロロホルム（微量）
外見: 油
色: 無色
比重: 0.95 · 0.95
水溶解度: 水には混和しません。
BRN: 1927303 · 1927303
InChI: 1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3
InChIKey: SMUVABOERCFKRW-UHFFFAOYSA-N
SMILES: Cc1ccc(C)c(C=O)c1
LogP: 2.56 · 2.560 (est)
CAS データベース: 5779 · 5779-94-2(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzaldehyde, 2,5-dimethyl-(5779-94-2)
EPAの化学物質情報: 2 · 2,5-Dimethylbenzaldehyde (5779-94-2)

化学的性質

化学的特性CLEAR COLORLESS TO VERY SLIGHTLY YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.；There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).；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.