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| CAS No.: | 2426-08-6 |
|---|---|
| Name: | n-Butyl glycidyl ether |
| Article Data: | 37 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C7H14O2 |
| Molecular Weight: | 130.187 |
| Synonyms: | Oxirane,(butoxymethyl)- (9CI);Propane, 1-butoxy-2,3-epoxy- (6CI,8CI);(Butoxymethyl)oxirane;Oxirane,2-(butoxymethyl)-;1-Butyl glycidyl ether;2,3-Epoxypropyl butyl ether;2-(Butoxymethyl)oxirane;3-Butoxy-1,2-epoxypropane;Butyl 2,3-epoxypropylether;Butyl glycidyl ether;DY-BP;DY-BP (epoxide);Epi-Rez 501;Epiol B 4;Epodil 741HP;Epogosey BA;Glycidyl n-butyl ether;Laproxid 201B;NSC 83413; |
| EINECS: | 219-376-4 |
| Density: | 0.945 g/cm3 |
| Melting Point: | 59 °C |
| Boiling Point: | 176.999 °C at 760 mmHg |
| Flash Point: | 54.444 °C |
| Solubility: | 2 g/100 mL in water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 10-20/22-37-40-43-52/53-68 |
| Safety: | 24/25-36/37-61 |
| Transport Information: | UN 3271 3/PG 3 |
| PSA: | 21.76000 |
| LogP: | 1.20190 |
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The n-Butyl glycidyl ether, with the CAS registry number 2426-08-6, is also known as 1-Butoxy-2,3-epoxypropane. It belongs to the product categories of Oxiranes; Simple 3-Membered Ring Compounds. Its EINECS number is 219-376-4. This chemical's molecular formula is C7H14O2 and molecular weight is 130.18. What's more, its systematic name is 2-(Butoxymethyl)oxirane. Its classification codes are: (1)Mutation data; (2)Reproductive Effect; (3)Skin / Eye Irritant; (4)TSCA Flag T [Subject to the Section 4 test rule under TSCA]. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.
Physical properties of n-Butyl glycidyl ether are: (1)ACD/LogP: 1.377; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 6.56; (6)ACD/BCF (pH 7.4): 6.56; (7)ACD/KOC (pH 5.5): 133.72; (8)ACD/KOC (pH 7.4): 133.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 21.76 Å2; (13)Index of Refraction: 1.433; (14)Molar Refractivity: 35.799 cm3; (15)Molar Volume: 137.738 cm3; (16)Polarizability: 14.192×10-24cm3; (17)Surface Tension: 32.096 dyne/cm; (18)Density: 0.945 g/cm3; (19)Flash Point: 54.444 °C ; (20)Enthalpy of Vaporization: 39.634 kJ/mol; (21)Boiling Point: 176.999 °C at 760 mmHg; (22)Vapour Pressure: 1.431 mmHg at 25°C.
Preparation of n-Butyl glycidyl ether: this chemical can be prepared by 3-butoxy-propane-1,2-diol by heating. This reaction will need reagents 20% aq. NaOH, methanesulfonyl chloride and solvent CH2Cl2 with the reaction time of 10 min. This reaction will also need catalyst TEBA. The yield is about 75%.
Uses of n-Butyl glycidyl ether: it can be used to produce 1-butoxy-3-diethylamino-propan-2-ol by heating. It will need solvent H2O with the reaction time of 10 hours. The yield is about 91%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and has a limited evidence of a carcinogenic effect. It is harmful by inhalation and if swallowed, and it is harmful to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. This substance is irritating to respiratory system and may cause sensitisation by skin contact. It has a possible risk of irreversible effects. When using it, you need wear suitable protective protective clothing and gloves and must avoid contact with eyes. You should avoid releasing it to the environment just refering to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CCCC)CC1OC1
(2)Std. InChI: InChI=1S/C7H14O2/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3
(3)Std. InChIKey: YSUQLAYJZDEMOT-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 260mg/m3 (260mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(8), Pg. 91, 1986. |
| mouse | LD50 | intraperitoneal | 700mg/kg (700mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | AMA Archives of Industrial Health. Vol. 14, Pg. 250, 1956. |
| mouse | LD50 | oral | 1530mg/kg (1530mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | AMA Archives of Industrial Health. Vol. 14, Pg. 250, 1956. |
| rabbit | LD50 | skin | 2520uL/kg (2.52mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| rat | LC50 | inhalation | 1030ppm/8H (1030ppm) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS LUNGS, THORAX, OR RESPIRATION: DYSPNEA | AMA Archives of Industrial Health. Vol. 14, Pg. 250, 1956. |
| rat | LD50 | intraperitoneal | 1140mg/kg (1140mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | AMA Archives of Industrial Health. Vol. 14, Pg. 250, 1956. |
| rat | LD50 | oral | 1660mg/kg (1660mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(8), Pg. 91, 1986. |
| rat | LD50 | skin | > 2150mg/kg (2150mg/kg) | Office of Toxic Substances Report. Vol. OTS0515483. |
