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(R)-(-)-1,3-Butanediol

(R)-(-)-1,3-Butanediol structure

CAS No:
6290-03-5
Formula:
C4H10O2
Chemical Name:
(R)-(-)-1,3-Butanediol
Synonyms:
(R)-(-)-1,3-Butanediol;(R)-(-)-1,3-Butanediol 98%;L-Butane-1,3-diol;1,3-BUTANEDIOL, (R);(R)-(-)-BUTYLENE GLYCOL;(R)-(-)-1,3-DIHYDROXYBUTANE;(R)-(-)-1,3-BUTANEDIOL;(R)-(-)-1,3-BUTYLENE GLYCOL
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

(R)-(-)-1,3-Butanediol is used to regulate the metabolism of carbohydrate and lipid.

(R)-butane-1,3-diol is a butane-1,3-diol of R-configuration. It is an enantiomer of a (S)-butane-1,3-diol.

Colorless to light yellow liqui

(R)-(-)-1,3-Butanediol Basic Attributes

Molecular Weight：

90.12

Exact Mass：

90.12

BRN：

1718944

EC Number：

228-532-0

TSCA：

TSCA listed

Color/Form：

Clear Colourless

HScode：

29053920

Characteristics

PSA：

40.46000

XLogP3：

-0.4

Appearance：

clear liquid

Density：

1.005 g/mL at 25 °C (lit.)

Melting Point：

0.07°C (estimate)

Boiling Point：

107-110 °C/23 mmHg (lit.)

Flash Point：

108 ºC

Refractive Index：

1.44

Water Solubility：

Fully miscible in water.

Vapor Pressure：

0.06 mm Hg ( 20 °C)

Vapor Density：

3.1 (vs air)

Flammability characteristics：

Not classified

PKA：

14.83±0.20(Predicted)

Autoignition Temperature：

741 °F

Critical Temperature & Pressure：

Inert atmosphere,Room Temperature

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

26-36

RTECS Number：

EK0440000

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

36/37/38

GHS Classification：

|Warning|H315 (97.92%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(R)-(-)-1,3-Butanediol Use and Manufacturing

Uses

(R)-(-)-1,3-Butanediol is used as a solvent for food flavoring agents and is a co-monomer used in certain polyurethane and polyester resins.

Manufacturing Info：

1,3-Butanediol, (3R)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

EPA Safer Chemical Functional Use Classes -> Solvents|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Computed Properties

Molecular Weight:90.12
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:90.068079557
Monoisotopic Mass:90.068079557
Topological Polar Surface Area:40.5
Heavy Atom Count:6
Complexity:28.7
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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