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CAS 112-07-2 Ethylene Glycol Monobutyl Ether Acetate molecular structure lightbox
CAS RN: 112-07-2

Ethylene Glycol Monobutyl Ether Acetate

  • Product code: SSC-012465
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 500g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 112-07-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Hong Kong Inquiry

112-07-2 / 2-butoxyethyl acetate

2-Butoxyethyl acetate | ETHYLENE GLYCOL MONOBUTYL ETHER ACETATE | Butyl cellosolve acetate

Standard CAS: 112-07-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
112-07-2
Multi CAS
Yes
Molecular Formula
C8H16O3
Molecular Weight
160.210000
Exact Mass
160.109944
SMILES
CCCCOCCOC(=O)C
InChI
InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
InChIKey
NQBXSWAWVZHKBZ-UHFFFAOYSA-N
Synonyms
2-Butoxyethyl acetate ETHYLENE GLYCOL MONOBUTYL ETHER ACETATE Butyl cellosolve acetate Butyl glycol acetate Ektasolve EB acetate

Physical Properties

Melting Point
-82.3 °F (USCG, 1999) Freezing point: -63.5 °C -64 °C -82 °F
Boiling Point
378 °F at 760 mmHg (USCG, 1999) 192 °C 378 °F
Density
0.942 at 68 °F (USCG, 1999) - Less dense than water; will float Specific gravity: 0.9422 at 20 °C/20 °C Relative density (water = 1): 0.94 0.94
Physical Description
Ethylene glycol monobutyl ether acetate is a colorless liquid with a weak fruity odor. Floats and mixes slowly with water. (USCG, 1999) Liquid Colorless liquid with a pleasant, sweet, fruity odor; [NIOSH] COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. Colorless liquid with a pleasant, sweet, fruity odor.
Appearance
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
42.36
TPSA
35.53

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
1.2
Consensus LogP
1.26
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning Danger
GHS Hazard Statements
H312: Harmful in contact with skin [Warning Acute toxicity, dermal] H332: Harmful if inhaled [Warning Acute toxicity, inhalation] H302+H312+H332 (14.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (27.2%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (97.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement Codes
P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, and P501 P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 P210, P260, P264, P270, P273, P280, P302+P352, P308+P316, P317, P319, P321, P362+P364, P370+P378, P403, P405, and P501 P260, P264, P270, P308+P316, P319, P321, P405, and P501 P203, P210, P260, P264, P270, P280, P302+P352, P308+P316, P317, P318, P319, P321, P362+P364, P370+P378, P403, P405, and P501

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