CAS 3748-13-8 1,3-Diisopropenylbenzene (HCID 77353)

Names & identifiers

Preferred name: 1,3-Diisopropenylbenzene
IUPAC: 1,3-bis(prop-1-en-2-yl)benzene
English name: 1,3-Diisopropenylbenzene
Molecular formula: C12H14
Molecular weight: 158.24

Names & synonyms

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

Show more names

1,3-DiisopropenyLm-diisopropenyl-benzen3-DiisopropenylbenzeneM-DIISOPROPENYL BENZENEMETA-DIISOPROPENYLBENZENE1,3-Bis(isopropenyl)benzene

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 168

Experimental & physicochemical properties

Vapor Pressure0.16 [mmHg]

Physical Description · 2 items

Liquid

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

Physicochemical properties

Melting point: -40 °C · -40 °C
Boiling point: 231 °C · 231 °C(lit.)
Density: 0.925 g/mL · 0.925 g/mL at 25 °C(lit.)
vapor pressure: 19.5 Pa · 19.5Pa at 25℃
refractive index: 20 · n20/D 1.556(lit.)
Flash point: 93 °C · 93 °C
storage temp.: 2 · 2-8°C
solubility: Acetonitrile (Slightly), Chloroform (Slightly)
form: Oil
color: Colourless
Water Solubility: 5.6 mg/L · 5.6mg/L at 25℃
Stability: Light Sensitive
LogP: 5.04 at · 5.04 at 20℃
CAS DataBase Reference: 3748 · 3748-13-8(CAS DataBase Reference)
FDA UNII: 536 PC64795 · 536PC64795
EPA Substance Registry System: m-Diisopropenylbenzene (3748-13-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H320
Precautionary statements: 210 · P210-P264-P280-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Hazard Codes: Xi,N
Risk Statements: 36 · 36/37/38-50/53
Safety Statements: 26 · 26-61-60
RIDADR: 3082 · UN 3082 9/PG 3
WGK Germany: 2 · 2
RTECS: 8535000 · CY8535000
TSCA: TSCA listed
HS Code: 2902.9 · 2902.90.9000
Toxicity: 50 · rabbit,LD50,skin,> 2gm/kg (2000mg/kg),Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 44, 1990.
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

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.

Hazard information

Regulatory Information · 4 items

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 item

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%)

Toxicology

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

Regulatory information

Regulatory Information · 4 items

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

Safety data

wgk: 2
tsca: TSCA listed
rtecs: CY8535000
ridadr: UN 3082 9/PG 3
hs_code: 2902.90.9000
Toxicity: rabbit,LD50,skin,> 2gm/kg (2000mg/kg),Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 44, 1990.
risk_code: 36/37/38-50/53
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,N
safety_code: 26-61-60
Hazard statements: H227-H320
REACH Registrations: Active
Precautionary statements: P210-P264-P280-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501

Chemistry & industry

Uses & manufacturing

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 items

Paint and Coating Manufacturing

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

Applications · 1 item

Uses1,3-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].