HCID7378

5-Tert-butyl-m-xylene

1-tert-butyl-3,5-dimethylbenzene

C12H18162.27 g/molCAS 98-19-1

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IDENTITY

结构与身份

标准SMILES: Cc1cc(C)cc(C(C)(C)C)c1
InChIKey: FZSPYHREEHYLCB-UHFFFAOYSA-N
分子式: C12H18
平均分子量: 162.27 g/mol
单同位素质量: 162.14085057

COMPUTED

结构计算性质

已同步

XLogP: 4.3
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 0
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 131

PROPERTIES

实验与物化性质

Kovats Retention Index

1163.6；1164；1165.2；1165；1163；1169.6；1152；1163；1152；1169；1152

1151；1146.85；1160；1140；1160

1391.4；1430.8；1385；1385

GHS

GHS分类

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 46 reports by companies from 5 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.

HAZARDS

危害信息

Regulatory Information

Chemical: Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-

Status: Active Update: 23-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23547

1,3-Dimethyl-5-tert-butylbenzene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (95.7%)

REGULATORY

法规信息

Regulatory Information

Chemical: Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-

Status: Active Update: 23-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23547

1,3-Dimethyl-5-tert-butylbenzene: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

General Manufacturing Information

Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-: ACTIVE

ALIASES

名称与别名

共 67 条

5-tert-Butyl-m-xylene98-19-11-tert-Butyl-3,5-dimethylbenzeneBenzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-1,3-Dimethyl-5-tert-butylbenzenem-Xylene, 5-tert-butyl-5-tert-Butyl-1,3-dimethylbenzeneNSC 11016Benzene, 5-tert-butyl-1,3-dimethyl-EINECS 202-647-61-(1,1-Dimethylethyl)-3,5-dimethylbenzene2GX9N8TLC9BRN 1853314AI3-02460NSC-11016Benzene, 1,3-dimethyl-5-(1,1-dimethylethyl)-DTXSID20526594-05-00-01130 (Beilstein Handbook Reference)XYLOMETAZOLINE HYDROCHLORIDE IMPURITY D [EP IMPURITY]XYLOMETAZOLINE HYDROCHLORIDE IMPURITY D (EP IMPURITY)

REACTIONS