CAS 25265-77-4 MFCD00148967-3-Hydroxy-2,2,4-trimethylpentyl Isobutyrate 异丁酸-3-羟基-2,2,4-三甲基戊酯 -LabNovo

3-Hydroxy-2,2,4-trimethylpentyl Isobutyrate 异丁酸-3-羟基-2,2,4-三甲基戊酯

CAS 25265-77-4 MFCD00148967

化学结构图

SMILES: CC(C)C(=O)OCC(C)(C)C(O)C(C)C

化学属性

Mol. Formula	C12H24O3
Mol. Weight	216.32
Density	0.950
Refractive index	1.4400 to 1.4440
TSCA	Yes
Boiling Point	254-261°
Melting Point	-50°
Flash Point	123°C(lit.)

别名和识别编码

Chemical Name	3-Hydroxy-2,2,4-trimethylpentyl Isobutyrate
MDL Number	MFCD00148967
EC Number	246-771-9
CAS Number	25265-77-4
Chemical Name Translation	异丁酸-3-羟基-2,2,4-三甲基戊酯
Reaxys-RN	1774887
PubChem Substance ID	87571758
Synonym	Texanol Propanoic acid, methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol 1,3-Pentanediol, 2,2,4-trimethyl-, monoisobutyrate 2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate
Wiswesser Line Notation	1Y1&YQX1&1&1OVY1&1

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安全信息

RTECSUF6000000

Signal word

Hazard statements

H303 May be harmfully swallowed 吞食可能有害

Precautionary statements

P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: M-158E,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: M-158E,1981

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : >20 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: M-158E,1981

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >3500 mg/m3/6H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971