| Identification | More | [Name]
1,3-Butanediol | [CAS]
107-88-0 | [Synonyms]
(+/-)-1,3-BUTANEDIOL
1,3-BUTANEDIOL
1,3-BUTYLENE GLYCOL
1,3-DIHYDROXYBUTANE
1-METHYLTRIMETHYLENE GLYCOL
B-BUTYLENE GLYCOL
(±)-butane-1,3-diol
1,3-Butandiol
1,3-Butanodiol
1,3-butylene
1,3-Butylenglykol
1,3-Dihydroxybotane
1-Methyl-1,3-propanediol
BD
beta-Butylene glycol
beta-butyleneglycol
butane-1,
butane-1,3-
Butane-1,3-diol
Methyltrimethylene | [EINECS(EC#)]
203-529-7 | [Molecular Formula]
C4H10O2 | [MDL Number]
MFCD00004554 | [Molecular Weight]
90.12 | [MOL File]
107-88-0.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [Melting point ]
-54 °C
| [Boiling point ]
203-204 °C(lit.)
| [density ]
1.005 g/mL at 25 °C(lit.)
| [vapor density ]
3.1 (20 °C, vs air)
| [vapor pressure ]
0.06 mm Hg ( 20 °C)
| [refractive index ]
n20/D 1.44(lit.)
| [Fp ]
250 °F
| [storage temp. ]
2-8°C
| [solubility ]
>500g/lMiscible | [form ]
Liquid | [pka]
14.83±0.20(Predicted) | [color ]
Clear colorless to yellow, may discolor to brown on storage | [Specific Gravity]
1.004 – 1.007 | [Odor]
odorless | [PH]
6.1 (500g/l, H2O, 20℃) | [PH Range]
6 - 7 at 20 °C | [Stability:]
Stable. Flammable. Hygroscopic-protect from air and moisture. Incompatible with strong oxidizing agents. | [explosive limit]
1.9-12.6%(V) | [Water Solubility ]
SOLUBLE | [Sensitive ]
Hygroscopic | [Merck ]
14,1567 | [BRN ]
1731276 | [Contact allergens]
This dihydric alcohol is used for its humectant and preservative
potentiator properties in cosmetics, topical
medicaments and polyurethane, polyester, cellophane,
and cigarettes. It has similar properties, but is less irritant
than propylene glycol. Contact allergies seem to be rare. | [LogP]
-0.9 at 25℃ | [CAS DataBase Reference]
107-88-0(CAS DataBase Reference) | [NIST Chemistry Reference]
1,3-Butanediol(107-88-0) | [EPA Substance Registry System]
107-88-0(EPA Substance) |
| Hazard Information | Back Directory | [Chemical Properties]
colourless liquid | [Uses]
1,3-Butanediol is used in the synthesis of colchicine derivatives as anticancer agents. Also used in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as euglycem
ic agents in the treatment of diabetes. | [Uses]
raw material for polyester plasticizers and unsaturated polyester resins humectant in cosmetics, foods and tobacco. | [Definition]
ChEBI: A butanediol compound having two hydroxy groups in the 1and 3-positions. | [Preparation]
From formaldehyde and propylene via pressure and a catalyst. | [Production Methods]
Butylene glycol is prepared by catalytic hydrogenation of aldol
using Raney nickel. | [Aroma threshold values]
Detection: 70 to 100 ppm | [General Description]
(±)-1,3-Butanediol (BD) is a 1,3-diol. Its vapor pressure upto 270kPa, liquid-phase densities over a temperature range, two-phase (liquid + vapor) heat capacities, critical temperature and critical density have been determined. The obtained data was employed to derive various thermophysical properties. | [Flammability and Explosibility]
Notclassified | [Pharmaceutical Applications]
Butylene glycol is used as a solvent and cosolvent for injectables.
It is used in topical ointments, creams, and lotions, and it is also
used as a vehicle in transdermal patches. Butylene glycol is a good
solvent for many pharmaceuticals, especially estrogenic substances.
In an oil-in-water emulsion, butylene glycol exerts its best
antimicrobial effects at ～8% concentration. Higher concentrations
above 16.7% are required to inhibit fungal growth. | [Side effects]
1,3-Butanediol is commonly used as a solvent in food flavourings and is mildly toxic by oral and subcutaneous routes, with possible side effects including severe respiratory problems, coma, amnesia, belligerence, confusion, agitation, vomiting, seizures and very slow heartbeat. People who use butylene glycol on a regular basis and then stop using it may also experience withdrawal symptoms such as sleep problems (insomnia), tremors and anxiety. | [Safety]
Butylene glycol is used in a wide variety of cosmetic formulations
and is generally regarded as a relatively nontoxic material. It is
mildly toxic by oral and subcutaneous routes.
In topical preparations, butylene glycol is regarded as minimally
irritant. Butylene glycol can cause allergic contact dermatitis, with
local sensitivity reported in patch tests. Some local irritation
is produced on eye contact.
LD50 (guinea pig, oral): 11.0 g/kg
LD50 (mouse, oral): 12.98 g/kg
LD50 (rat, oral): 18.61 g/kg
LD50 (rat, SC): 20.0 g/kg | [Carcinogenicity]
There were no tumors found in
the 2-year feeding studies on dogs and rats . Thus, it
appears that 1,3-butanediol is not carcinogenic. | [storage]
Butylene glycol is hygroscopic and should be stored in a well-closed
container in a cool, dry, well-ventilated place. When heated to
decomposition, butylene glycol emits acrid smoke and irritating
fumes. | [Incompatibilities]
Butylene glycol is incompatible with oxidizing reagents. | [Regulatory Status]
GRAS listed. Included in the FDA Inactive Ingredients Database
(transdermal patches). Included in licensed medicines in the UK
(topical gel patches/medicated plasters). |
| Safety Data | Back Directory | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
1
| [RTECS ]
EK0440000
| [F ]
3 | [Autoignition Temperature]
741 °F | [TSCA ]
Yes | [HS Code ]
29053920 | [Safety Profile]
Mdly toxic by
ingestion and subcutaneous routes. A skin
and eye irritant. See also ETHYLENE
GLYCOL. Experimental reproductive
effects. Combustible when exposed to heat
or flame. Incompatible with oxidizing
materials. To fight fire, use foam, alcohol
foam, CO2, dry chemical. When heated to
decomposition it emits acrid smoke and
irritating fumes. | [Hazardous Substances Data]
107-88-0(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 18610 mg/kg LD50 dermal Rabbit > 20000 mg/kg |
| Questions And Answer | Back Directory | [Description]
1,3-Butanediol is an organic chemical which belongs to the family of secondary alcohols. At present, 1,3-butanediol is used mainly in surfactants, inks, solvents for natural and synthetic flavoring agents and serves as a co-monomer in manufacturing certain polyurethane and polyester resins. It can also serve as a humectant to prevent loss of moisture in cosmetics, particularly in hair sprays and setting lotions. Besides, 1,3-Butanediol is pharmaceutically involved in the production of colchicine derivatives as a anticancer agent and in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as a hypoglycaemic agent, which is effective for the treatment of diabetes.
| [References]
https://en.wikipedia.org/wiki/1,3-Butanediol
https://www.trc-canada.com/product-detail/?B690010
http://www.hmdb.ca/metabolites/HMDB31320
https://www.alfa.com/zh-cn/catalog/A11684/
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