3D Mol Similar

1,3-BUTANEDIOL DIACRYLATE

Iupac Name：3-prop-2-enoyloxybutyl prop-2-enoate

CAS No.: 19485-03-1

Molecular Weight：198.218

Modify Date.: 2022-11-23 23:30

Introduction:

Liquid

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1. Names and Identifiers

: 1.1 Name; 1,3-BUTANEDIOL DIACRYLATE; 1.2 Synonyms; 1,3-Butanediol bisacrylate 1,3-BUTANEDIOL DIACRYLATE 1,3-Butanediol, diacrylate 1,3-Butanediyl bisacrylate 1,3-Butylene diacrylate 1,3-BUTYLENE GLYCOL DIACRYLATE 1,3-butylenediacrylate 1,3-BUTYLENEGYLCOLDIACRYLATE 1-methyltrimethylene diacrylate 2-Propenoic acid, 1,1′-(1-methyl-1,3-propanediyl) ester 2-Propenoic acid, 1-methyl-1,3-propanediyl ester 2-propenoicacid,1-methyl-1,3-propanediylester Acrylic acid 1-methyltrimethylene ester Acrylic acid, 1-methyltrimethylene ester acrylicacid,1,3-butyleneglycoldiester ACRYLICACID,DIESTERWITH1,3-BUTANEDIOL Bisacrylic acid 1,3-butanediyl Butane-1,3-diyl bisacrylate butane-1,3-diyl diacrylate EINECS 243-105-9 MFCD00039821 n-Butane-1,3-diyl diacrylate SR 212 SR 212B; View all

1.3 CAS No.: 19485-03-1

1.4 CID: 29635

1.5 EINECS(EC#): 243-105-9

1.6 Molecular Formula: C10H14O4 (isomer)

1.7 Inchi: InChI=1S/C10H14O4/c1-4-9(11)13-7-6-8(3)14-10(12)5-2/h4-5,8H,1-2,6-7H2,3H3

1.8 InChIkey: FQMIAEWUVYWVNB-UHFFFAOYSA-N

1.9 Canonical Smiles: CC(CCOC(=O)C=C)OC(=O)C=C

1.10 Isomers Smiles: CC(CCOC(=O)C=C)OC(=O)C=C

2. Properties

2.1 Density: 1,03

2.1 Boiling point: 73°C 0,1mm

2.1 Refractive index: n20/D 1.45(lit.)

2.1 Flash Point: 118.6 °C

2.1 Precise Quality: 198.08900

2.1 PSA: 52.60000

2.1 logP: 1.22340

2.1 Appearance: Liquid

3. Safety and Handling

3.1 Hazard Codes: C

3.1 Risk Statements: R21

3.1 Safety Statements: Moderately toxic by ingestion and skin contact. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.

3.1 Packing Group: III

3.1 Hazard Class: 3.2

3.1 Hazard Declaration: H312-H314-H317

3.1 RIDADR: 1760

3.1 Caution Statement: P280-P305 + P351 + P338-P310

3.1 WGK Germany: 1

3.1 RTECS: AS5250000

3.1 Report: Reported in EPA TSCA Inventory.

3.2 Safety: Moderately toxic by ingestion and skin contact. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: C
Risk Statements about 1,3-Butylene glycol diacrylate (CAS No.19485-03-1):
R21:Harmful in contact with skin.
R34:Causes burns.
R43:May cause sensitization by skin contact.
Safety Statements about 1,3-Butylene glycol diacrylate (CAS No.19485-03-1):
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

3.3 Toxicity: Oral-rat LD50: 3540 μl/kg

4. 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/…if 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/… 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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5. Other Information

5.0 Storage features: Warehouse ventilated, low temperature and dry

5.1 Manufacturing Info: Plastic material and resin manufacturing|2-Propenoic acid, 1,1'-(1-methyl-1,3-propanediyl) ester: ACTIVE

6. Computational chemical data

Molecular Weight: 198.218g/mol
Molecular Formula: C₁₀H₁₄O₄
Compound Is Canonicalized: True
XLogP3-AA: 2
Exact Mass: 198.08920892
Monoisotopic Mass: 198.08920892
Complexity: 232
Rotatable Bond Count: 8
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: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICCAAABACIACDSCAAAAAAAAAAIAAAAAEAABAAAIAACAAAFAAAAIIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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1,3-Butanediol diacrylate