Basic information
- Standard SMILES
C=CC(=O)OCCCCOC(=O)C=C- InChIKey
JHWGFJBTMHEZME-UHFFFAOYSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.08920893
Overview
RN given is for 1,4-butanediol diacrylate; structure
Names & identifiers
- Preferred name
- Butanediol diacrylate
- IUPAC
- 4-prop-2-enoyloxybutyl prop-2-enoate
- English name
- 1,4-Butanediol diacrylate
- Molecular formula
- C10H14O4
- Molecular weight
- 198.22
Names & synonyms
Show more names
Database identifiers
- CAS
1070-70-8、31442-13-4、52277-33-5- PubChem CID
- 70613
- DTXSID
DTXSID6044779- ChEMBL
CHEMBL3182145- UNII
- 53P6JR1A3R
- EC Number
- 213-979-6、825-520-2
- Nikkaji
- J82.104G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- -7 °C · -7°C
- Boiling point
- 83 °C/0.3 · 83 °C/0.3 mmHg (lit.)
- Density
- 1.051 g/mL · 1.051 g/mL at 25 °C (lit.)
- vapor pressure
- 0.83 hPa · 0.83 hPa (80 °C)
- refractive index
- 20 · n20/D 1.456(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 16.3 g/l · 16.3g/l
- form
- Liquid
- color
- Colorless
- Specific Gravity
- 1.055 · 1.055-1.105
- explosive limit
- 1.3 · 1.3-7%(V)
- Viscosity
- 8 cp · 8 cp (25C)
- Water Solubility
- Immiscible with water.
- InChI
- 1S/C10H14O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-8H2
- InChIKey
- JHWGFJBTMHEZME-UHFFFAOYSA-N
- SMILES
- C=CC(=O)OCCCCOC(=O)C=C
- LogP
- 1.9 at · 1.9 at 23℃
- CAS DataBase Reference
- 1070 · 1070-70-8(CAS DataBase Reference)
- EWG's Food Scores
- 2 · 2
- FDA UNII
- 53 P6JR1A3R · 53P6JR1A3R
- EPA Substance Registry System
- 1 · 1,4-Butanediol diacrylate (1070-70-8)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302+H332-H311-H314-H317-H412
- Precautionary statements
- 273 · P273-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
- Hazard Codes
- C
- Risk Statements
- 21 · 21-34-43-23
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 1760 · UN 1760 8/PG 2
- WGK Germany
- 1 · 1
- RTECS
- 3130000 · UD3130000
- Autoignition Temperature
- 285 °C · 285 °C
- TSCA
- TSCA listed
- HS Code
- 2916 · 2916 12 00
- HazardClass
- 8 · 8
- PackingGroup
- II
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSkin Sens. 1A
- Toxicity
- 50 · mouse,LD50,oral,1gm/kg (1000mg/kg),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H312: Harmful in contact with skin [Warning Acute toxicity, dermal]
P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Danger
H302 (59.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Poly(oxy-1,4-butanediyl), .alpha.-(1-oxo-2-propenyl)-.omega.-[(1-oxo-2-propenyl)oxy]-
Chemical: 2-Propenoic acid, 1,4-butanediyl ester
2-Propenoic acid, 1,1'-(1,4-butanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 1,1'-(1,4-butanediyl) ester 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)
FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.
Status: Active Update: 22-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25214
1,4-Butanediol diacrylate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (59.2%)
Skin Irrit. 2 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UD3130000
- ridadr
- UN 1760 8/PG 2
- hs_code
- 2916 12 00
- Toxicity
- mouse,LD50,oral,1gm/kg (1000mg/kg),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
- risk_code
- 21-34-43-23
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H302+H332-H311-H314-H317-H412
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSkin Sens. 1A
- Autoignition Temperature
- 285 °C
- Precautionary statements
- P273-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Miscellaneous Manufacturing
2-Propenoic acid, 1,1'-(1,4-butanediyl) ester: ACTIVE
2-Propenoic acid, diester with butanediol: INACTIVE
Poly(oxy-1,4-butanediyl), .alpha.-(1-oxo-2-propen-1-yl)-.omega.-[(1-oxo-2-propen-1-yl)oxy]-: ACTIVE
Applications
DescriptionA 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.
Usescross-linking monomer for use in inks, adhesives, textile product modifiers, photo resists, etc.
Uses1,4-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.
Uses1,4-Butanediol diacrylate may be used as a multifunctional crosslinker.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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