FT-0606593 CAS:107-88-0 chemical structure

1,3-Butanediol

Name: 1,3-Butanediol
Rating: 4.5 (11 reviews)

Catalog No: FT-0606593

CAS No: 107-88-0

Molecular Formula: 90.12
Formula Weight: C4H10O2
Inchl Key: PUPZLCDOIYMWBV-UHFFFAOYSA-N
Inchl: InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	-54ºC
CAS:	107-88-0
MF:	C4H10O2
Flash_Point:	121.1±0.0 °C
Product_Name:	1,3-Butanediol
Density:	1.0±0.1 g/cm3
FW:	90.121
Bolling_Point:	207.0±0.0 °C at 760 mmHg

Refractive_Index:	1.438
Vapor_Pressure:	0.1±0.8 mmHg at 25°C
Flash_Point:	121.1±0.0 °C
LogP:	-0.69
Bolling_Point:	207.0±0.0 °C at 760 mmHg
PSA:	40.46000
Molecular_Structure:	['1 . Molar refractive index 2360 ', '2 . Molar volume 899 ', '3 . Parachor （902K）2221 ', '4 . Surface tension 371 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 935']
Computational_Chemistry:	['1. XlogP :-04 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 405 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :287 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	-54ºC
MF:	C4H10O2
Exact_Mass:	90.068077
FW:	90.121
Density:	1.0±0.1 g/cm3
More_Info:	['1 . Appearance Colourless 黏稠状Liquid ，有苦甜味。 ', '2 . Boiling point（ºC,1013kPa）203~204 ', '3 . Boiling point（ºC,160kPa）108 ', '4 . Boiling point（ºC,133kPa）98 ', '5 . Melting point（ºC）-54 ', '6 相对. Density（g/mL,20/4ºC）10053 ', '7 . Relative vapor density（g/mL,Atmosphere =1）32 ', '8 . Refractive index（n20ºC）1441 ', '9 . Refractive index（n25ºC）1439 ', '10 黏度（mPa·s,20ºC）1303 ', '11 黏度（mPa·s,25ºC）1039 ', '12 黏度（mPa·s,35ºC）89 ', '13 . Flash point（ºC,开口）121 ', '14 燃点（ºC）3928 ', '15 蒸发热（KJ/mol,bp）5849 ', '16 . Combustion heat（KJ/mol,Liquid ）24912 ', '17 . Vapor pressure（kPa,74ºC）0067 ', '18 . Critical temperature（ºC）2908 ', '19 . Critical pressure（MPa）389 ', '20 . Lower limit of explosion（%,V/V）19 ', '21 . Solubility 能与Water Ethanol 丙酮丁酮苯二甲酸二丁酯混溶。Insoluble in 脂肪烃苯甲苯四氯化碳苯酚2-氨基 Ethanol 矿物油棉子油等。 ', '22 . Boiling point（ºC）207 ', '23 临界. Density（g·cm-3）0295 ', '24 临界体积（cm3·mol-1）305 ', '25 临界压缩因子0217 ', '26 偏心因子1146 ', '27 溶度参数(J·cm-3)0526974 ', '28 van der Waals面积（cm2·mol-1）8310×109 ', '29 van der Waals体积（cm3·mol-1）56990 ', '30 气相标准. Combustion heat(焓)(kJ·mol-1)-25700 ', '31 气相标准声称热(焓)( kJ·mol-1) -4332 ', '32 液相标准. Combustion heat(焓)(kJ·mol-1)-25022 ', '33 液相标准声称热(焓)( kJ·mol-1)-5010 ', '34 液相标准热熔(J·mol-1·K-1)2364']

Risk_Statements(EU):	R36/37/38
Personal_Protective_Equipment:	Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
RTECS:	EK0440000
RIDADR:	NONH for all modes of transport
Hazard_Codes:	F
HS_Code:	2905399090
Safety_Statements:	S24/25