3D Mol Similar

1,4-BUTANEDIOL DIACRYLATE

: Iupac Name：4-prop-2-enoyloxybutyl prop-2-enoate; CAS No.: 1070-70-8; Molecular Weight：198.218; Modify Date.: 2022-10-25 19:25; Introduction:
1,4-BUTANEDIOL DIACRYLATE, with the chemical formula C12H18O4 and CAS registry number 1070-70-8, is a compound commonly used in the production of coatings, adhesives, and sealants. This colorless liquid, also known as BDDA, is characterized by its two acrylate functional groups attached to a 1,4-butanediol backbone. It is a reactive monomer that undergoes polymerization to form crosslinked networks, providing excellent mechanical and chemical resistance properties. 1,4-BUTANEDIOL DIACRYLATE is widely utilized in the formulation of UV-curable coatings and inks, where it acts as a crosslinking agent. Its low volatility and good adhesion make it suitable for various applications, including automotive coatings, electronics, and packaging materials. Additionally, this compound is known for its low toxicity and low odor, making it a preferred choice in the industry. Overall, 1,4-BUTANEDIOL DIACRYLATE plays a crucial role in the development of high-performance materials with enhanced durability and versatility.
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1. Names and Identifiers

: 1.1 Name; 1,4-BUTANEDIOL DIACRYLATE; 1.2 Synonyms; 1,4-Bis(acryloyloxy)butane 1,4-Butandiyldiacrylat 1,4-butanediol acrylate 1,4-Butanediyl bisacrylate 1,4-butanediyl diacrylate 1,4-Butylene diacrylate 1,4-Butylene Glycol Diacrylate 1,4-butylenediacrylate 2-Propenoic acid, 1,4-butanediyl ester 2-Propenoicacid,1,4-butanediylester 4-(Acryloyloxy)butyl acrylate 4-acryloyloxybutyl acrylate Acrylic acid, tetramethylene ester ACRYLICACID,1,4-BUTANEDIOLDIESTER BDDA Butane-1,4-diyl bisacrylate butane-1,4-diyl bisprop-2-enoate butanedioldiacrylate Butylene diacrylate diacrylate du 1,4-butanediol EINECS 213-979-6 MFCD00014940 sr213 Tetramethylene acrylate tetramethylene diacrylate 1,4-butyleneglycol diacrylate tetramethylene glycol diacrylate; View all

1.3 CAS No.: 1070-70-8

1.4 CID: 70613

1.5 EINECS(EC#): 213-979-6

1.6 Molecular Formula: C10H14O4 (isomer)

1.7 Inchi: InChI=1S/C10H14O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-8H2

1.8 InChIkey: JHWGFJBTMHEZME-UHFFFAOYSA-N

1.9 Canonical Smiles: C=CC(=O)OCCCCOC(=O)C=C

1.10 Isomers Smiles: C=CC(=O)OCCCCOC(=O)C=C

2. Properties

2.1 Density: 1.01

2.1 Melting point: -7°C

2.1 Boiling point: 83 °C0.3 mm Hg(lit.)

2.1 Refractive index: 1.456

2.1 Flash Point: >230 °F

2.1 Precise Quality: 198.08900

2.1 PSA: 52.60000

2.1 logP: 1.22500

2.1 Solubility: 16.3g/l

2.2 Appearance: Colorless transparent liquid

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: Colorless liquid

2.5 Color/Form: Colorless

2.6 Water Solubility: Soluble in common organic solvents, almost insoluble in water

2.7 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 Usage: cross-linking monomer for use in inks, adhesives, textile product modifiers, photo resists, etc. 1,4-BUTANEDIOL DIACRYLATE Preparation Products And Raw materials Raw materials

4. Safety and Handling

4.1 Symbol: GHS05, GHS07

4.1 Hazard Codes: C

4.1 Signal Word: Danger

4.1 Risk Statements: R21;R34;R43

4.1 Safety Statements: S26;S36/37/39;S45

4.1 Packing Group: II

4.1 Hazard Class: 8

4.1 Hazard Declaration: H312-H314-H317

4.1 RIDADR: UN 1760 8

4.1 Caution Statement: P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P333 + P313

4.1 WGK Germany: 1

4.1 RTECS: UD3130000

4.1 Report: Reported in EPA TSCA Inventory.

4.2 Safety: Hazard Codes C
Risk Statements 21-34-43
21: Tetramethylene acrylate (1070-70-8) is harmful in contact with skin
34: Causes burns
43: May cause sensitization by skin contact
Safety Statements 26-36/37/39-45
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR UN 1760 8/PG 2
WGK Germany 1
RTECS UD3130000
Refractive index n20/D 1.456(lit.); View all

4.3 Toxicity

1.		orl-rat LD50:587 mg/kg		GISAAA Gigiena i Sanitariya. 55 (6)(1990),86.
2.		orl-mus LD50:1 g/kg		GISAAA Gigiena i Sanitariya. 55 (6)(1990),86.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Dermal, Category 4

Skin corrosion, Category 1B

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H312 Harmful in contact with skin H314 Causes severe skin burns and eye damage H317 May cause an allergic skin reaction
Precautionary statement(s)
Prevention	P280 Wear protective gloves/protective clothing/eye protection/face protection. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P264 Wash ... thoroughly after handling. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P333+P313 If skin irritation or rash occurs: Get medical advice/attention.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

Mass spectrum (electron ionization)

7. Synthesis Route

1070-70-8Total: 6 Synthesis Route

16658-76-7

1070-70-8 53 Suppliers

Literatures:
Journal of pharmaceutical sciences, , vol. 63, # 7 p. 1162 - 1163
Yield: null

110-63-4 250 Suppliers

74-86-2 65 Suppliers

1070-70-8 53 Suppliers

Literatures:
US2883418 , ;
Yield: null

110-63-4 250 Suppliers

814-68-6 181 Suppliers

1070-70-8 53 Suppliers

Literatures:
Stenlake; Waigh; Dewar; et al. European Journal of Medicinal Chemistry, 1981 , vol. 16, # 6 p. 515 - 524
Yield: ~72%

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8. Precursor and Product

precursor:

140-10-3

74-86-2

292638-85-8

110-63-4

79-10-7

150-76-5

16658-76-7

814-68-6

product :

2478-10-6

9. Other Information

9.0 Chemical Properties: Colorless liquid

9.1 Usage: 1,4-Butanediol diacrylate is used as a multifunctional crosslinker. It is used in drying technology for paintings, coatings, inks, resins and adhesives. It serves as an intermediate product for polymer synthesis in the chemical industry.

9.2 Description: A positive patch test was observed in a male process worker in a paint factory, sensitized to an epoxy diacrylate (1,4-butanediol diacrylate) contained in raw materials of UV -light-curable paint. The positive reaction was probably due to a cross reactivity.

9.3 Uses: cross-linking monomer for use in inks, adhesives, textile product modifiers, photo resists, etc.

9.4 Uses: 1,4-Butanediol diacrylate may be used as a multifunctional crosslinker.

10. Computational chemical data

Molecular Weight: 198.218g/mol
Molecular Formula: C₁₀H₁₄O₄
Compound Is Canonicalized: True
XLogP3-AA: 1.9
Exact Mass: 198.08920892
Monoisotopic Mass: 198.08920892
Complexity: 196
Rotatable Bond Count: 9
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 52.6
Heavy Atom Count: 14
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAIACAAABACIACDSCAAAAAAAAAAIAAAAAEAABAAAIAACAAAEAAAAIIBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

11. Question & Answer

How is 1,4-BUTANEDIOL DIACRYLATE Produced? Jun 26 2024
Background and Overview 1,4-BUTANEDIOL DIACRYLATE (BDDA) is an acrylic functional monomer that can cure quickly, has low skin irritation, and excellent flexibility. With a molecular weight of 198, it ..

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1,4-Butanediol diacrylate