105-76-0

Name Dibutyl maleate
CAS 105-76-0
EINECS(EC#) 203-328-4
Molecular Formula C12H20O4
MDL Number MFCD00009447
Molecular Weight 228.28
MOL File 105-76-0.mol
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Chemical Properties

Appearance CLEAR COLOURLESS TO SLIGHTLY YELLOWISH LIQUID
Melting point  -85°C
Boiling point  281 °C(lit.)
density  0.988 g/mL at 25 °C(lit.)
Pour Point  -85
vapor pressure  0.0027 hPa (20 °C)
refractive index  n20/D 1.445(lit.)
Fp  >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  0.17g/l slightly soluble
form  Liquid
color  Clear colorless to light yellow
explosive limit 0.5-3.4%(V)
Water Solubility  insoluble
FreezingPoint  <-85℃
Detection Methods GC
BRN  1726634
Henry's Law Constant 2.6×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-
InChIKey JBSLOWBPDRZSMB-FPLPWBNLSA-N
SMILES [H]\C(=C(/[H])C(=O)OCCCC)C(=O)OCCCC
LogP 3.39 at 25℃
CAS DataBase Reference 105-76-0(CAS DataBase Reference)
NIST Chemistry Reference 2-Butenedioic acid (Z)-, dibutyl ester(105-76-0)
EPA Substance Registry System 105-76-0(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS07,GHS08,GHS09
Signal word  Warning
Hazard statements  H317-H373-H411
Precautionary statements  P260-P272-P273-P280-P302+P352-P314
Hazard Codes  Xi,N
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R43:May cause sensitization by skin contact.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37:Wear suitable gloves .
S29:Do not empty into drains .
S24:Avoid contact with skin .
WGK Germany  1
RTECS  ON0875000
Autoignition Temperature 280 °C
TSCA  Yes
REACH Registrations Active
HS Code  29171990
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 2
Skin Sens. 1
STOT RE 2 Oral
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. Mddly toxic by skin contact. An eye and skin irritant. See also ESTERS and n-BUTYL ALCOHOL. Combustible when exposed to heat or flame; can react with oxilzing materials. To fight fire, use foam, CO2, dry chemical, alcohol foam. When heated to decomposition it emits acrid smoke and irritating fumes.
Toxicity
LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rabbit 10039 mg/kg

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