1,3-Diisopropenylbenzene (HCID 77353)

名称と識別子

優先名称: 1,3-Diisopropenylbenzene
IUPAC: 1,3-bis(prop-1-en-2-yl)benzene
現地名: 1,3-ジイソプロペニルベンゼン
英語名: 1,3-Diisopropenylbenzene
分子式: C12H14
分子量: 158.24

名称と別名

1,3-Diisopropenylbenzene3748-13-8m-Diisopropenylbenzenem-Bis(1-methylvinyl)benzeneBenzene, 1,3-bis(1-methylethenyl)-Benzene, m-diisopropenyl-m-DIPEB1,3-Bis(1-methylethenyl)benzeneBRN 2073277DTXSID7027546EINECS 223-146-9536PC64795

名称をさらに表示

1,3-ジイソプロペニルベンゼン1,3-ビス(1-メチルエテニル)ベンゼン1,3-ビス(イソプロペニル)ベンゼンm-ジイソプロペニルベンゼン1,3-ジ(イソプロペニル)ベンゼン1,3-ビス(1-メチルビニル)ベンゼン1,3-DiisopropenyLm-diisopropenyl-benzen3-DiisopropenylbenzeneM-DIISOPROPENYL BENZENEMETA-DIISOPROPENYLBENZENE1,3-Bis(isopropenyl)benzene

DTXCID307546EC 223-146-9mDIPEBmDiisopropenylbenzeneBenzene, mdiisopropenylmBis(1methylvinyl)benzeneRefChem:4144941,3Bis(1methylethenyl)benzene

データベース識別子

CAS: 3748-13-8
PubChem CID: 77353
DTXSID: DTXSID7027546
ChEMBL: CHEMBL3188124
UNII: 536PC64795
EC Number: 223-146-9
Nikkaji: J24.316G

物性

構造計算による物性

XLogP: 4.9
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: 2
重原子数: 12
形式電荷: 0
複雑度: 168

実験および物理化学的性質

Vapor Pressure0.16 [mmHg]

Physical Description · 2 件

Liquid

Liquid; [EPA ChAMP: Initial Risk-Based Prioritization] Clear light yellow liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: -40 °C · -40 °C
沸点: 231 °C · 231 °C(lit.)
比重(密度): 0.925 g/mL · 0.925 g/mL at 25 °C(lit.)
蒸気圧: 19.5 Pa · 19.5Pa at 25℃
屈折率: 20 · n20/D 1.556(lit.)
闪点: 93 °C · 93 °C
貯蔵温度: 2 · 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
水溶解度: 5.6 mg/L · 5.6mg/L at 25℃
安定性: 光に敏感
LogP: 5.04 at · 5.04 at 20℃
CAS データベース: 3748 · 3748-13-8(CAS DataBase Reference)
EPAの化学物質情報: m-Diisopropenylbenzene (3748-13-8)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 14% (40 of 286) of reports.

Danger

H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (72.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (13.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (36.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (13.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (13.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H411 (72.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 286 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 40 of 286 reports by companies.；There are 8 notifications provided by 246 of 286 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.

危険有害性情報

Regulatory Information · 4 件

Chemical: Benzene, 1,3-bis(1-methylethenyl)-

Benzene, 1,3-bis(1-methylethenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3-bis(1-methylethenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 15-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23152

Hazards Summary · 1 件

A mild skin and eye irritant in rabbits; A skin sensitizer in guinea pigs; No systemic, reproductive, or developmental toxicity observed in oral study of rats at doses up to 1,000 mg/kg/day; Increased absolute and relative liver weights (increased serum enzymes indicative of liver toxicity but without corresponding histopathology) observed in 4-week inhalation study of rats at 970 mg/m3/6hrs/day; [EPA ChAMP: Initial Risk-Based Prioritization] An irritant; May cause skin sensitization; [ECHA REACH Registrations] A skin and strong eye irritant; [Sigma-Aldrich MSDS] Search for (3748-13-8[EC/RN Number]) AND (sensitizer OR sensitization OR dermatitis OR allergic): no results; [PubMed]

Hazard Classes and CategoriesSkin Irrit. 2 (13.3%)；Skin Sens. 1B (72.4%)；Eye Irrit. 2 (13.6%)；Acute Tox. 3 (36.4%)；STOT SE 3 (13.3%)；Aquatic Acute 1 (13.3%)；Aquatic Chronic 2 (72.4%)

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Toxicity DataLC50 (rat) = 540-5,600 mg/m3/6hr

法規制情報

Regulatory Information · 4 件

Chemical: Benzene, 1,3-bis(1-methylethenyl)-

Benzene, 1,3-bis(1-methylethenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3-bis(1-methylethenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 15-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23152

安全データ

wgk: 2
tsca: TSCA listed
rtecs: CY8535000
ridadr: UN 3082 9/PG 3
毒性: rabbit,LD50,skin,> 2gm/kg (2000mg/kg),Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 44, 1990.
hs_code: 2902.90.9000
risk_code: 36/37/38-50/53
消防法: 危-4-3-III
hazard_code: Xi,N
safety_code: 26-61-60

化学と産業

用途と製造

UsesUsed as an intermediate for other basic chemicals, diisocyanate monomers, and optical products; [EPA ChAMP: Initial Risk-Based Prioritization]

U.S. Production2023: 6,077,700 lb；2022: 1,000,000 - <5,000,000 lb；2021: 1,000,000 - <5,000,000 lb；2020: 1,000,000 - <5,000,000 lb

Industry UsesMonomers

General Manufacturing Information · 2 件

Paint and Coating Manufacturing

Benzene, 1,3-bis(1-methylethenyl)-: ACTIVE

応用分野 · 1 件

使用1,3-diisopropenylbenzene could be used as monomers with respect to anionic polymerization. The anionic polymerization of 1,3 and 1,4-diisopropenylbenzene (DIB) was characterized by a rather low ceiling temperature and rather strong differences in reactivity between the two double bonds. The use of the crosslinker 1,3-diisopropenylbenzene has obtained a novel crosslinked radiation grafted poly(ethylene-alt-tetrafluoroethylene) (ETFE)- based membrane [1-2].