3-Methoxybutyl acetate
Basic information
- CAS
4435-53-4- Standard SMILES
COC(C)CCOC(C)=O- InChIKey
QMYGFTJCQFEDST-UHFFFAOYSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Overview
Butoxyl appears as a liquid with an acrid odor. Flash point near 140 °F. Slightly less dense than water. Vapors much heavier than air. May irritate skin, eyes, and mucous membranes.
Names & identifiers
- Preferred name
- 3-Methoxybutyl acetate
- IUPAC
- 3-methoxybutyl acetate
- English name
- 3-Methoxybutyl acetate
- Molecular formula
- C7H14O3
- Molecular weight
- 146.18
Names & synonyms
3-METHOXYBUTYL ACETATE4435-53-4ButoxylAcetic Acid 3-Methoxybutyl Ester1-Butanol, 3-methoxy-, acetate3-Methoxy-1-butyl acetateAcetic acid, 3-methoxybutyl esterMethyl-1,3-butylene glycol acetate3-methoxy-n-butyl acetate2W0NXC23XWNSC-15638DTXSID2052106
Show more names
MethoxybutyMethoxybutyl Este5-methoxyhexanoatemethoxybutyl acetate3-Methoxy-n-butylacetat3-methoxybutyl ethanoate3-methoxy-1-butanoacetate
RefChem:571618DTXCID4030673224-644-93-Methoxybutyl Ester1-Butanol, 3-methoxy-, 1-acetate3-Methoxybutylester kyseliny octoveMFCD00043928EINECS 224-644-9
Database identifiers
- CAS
4435-53-4- PubChem CID
- 20498
- DTXSID
DTXSID2052106- UNII
- 2W0NXC23XW
- EC Number
- 224-644-9
- Nikkaji
- J3.717F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 2nd degree
Density0.96 (USCG, 1999) - Less dense than water; will float
Flash Point170 °F (USCG, 1999)
Boiling Point275 °F at 760 mmHg (USCG, 1999)
Physical DescriptionButoxyl appears as a liquid with an acrid odor. Flash point near 140 °F. Slightly less dense than water. Vapors much heavier than air. May irritate skin, eyes, and mucous membranes.
Physicochemical properties
- Boiling point
- 172 °C · 172 °C
- Density
- 0 · 0,96 g/cm3
- refractive index
- 1.407 · 1.4070-1.4090
- Flash point
- 62 °C · 62°C
- form
- clear liquid
- color
- Colorless
- Water Solubility
- 60.68 g/L · 60.68g/L(20 ºC)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 59.2% (355 of 600) of all reports.
Warning
H336 (35.3%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
P261, P271, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 600 reports by companies from 7 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1-Butanol, 3-methoxy-, acetate
1-Butanol, 3-methoxy-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 3-methoxy-, 1-acetate 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)
REACH registered substance: 3-methoxybutyl acetate (EC: 224-644-9)
1-Butanol, 3-methoxy-, acetate: HSNO Approval: HSR001077 Approved with controls
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire HazardsSpecial Hazards of Combustion Products: When heated to decomposition, emits acrid smoke and irritating fumes. (USCG, 1999)
Health HazardsCauses eye and skin irritation. Mildly toxic by ingestion. (USCG, 1999)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Chemistry & industry
Uses & manufacturing
U.S. Production2022: 2,181 lb
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
General Manufacturing Information1-Butanol, 3-methoxy-, 1-acetate: ACTIVE
Applications
DescriptionButoxyl is a colorless liquid with a sharp odor.Molecular weight=146.19; Specific gravity (H2O:1)=0.96; Boiling point=169-173℃; Melting/Freezingpoint =,- 80℃; Flash point=62℃ (cc); 77℃.Hazard Identification (based on NFPA-704 M RatingSystem): Health 1, Flammability 2, Reactivity 1. Slightlysoluble in water; solubility=30 g/L.
General DescriptionA liquid with an acrid odor. Flash point near 140°F. Slightly less dense than water. Vapors much heavier than air. May irritate skin, eyes, and mucous membranes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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