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(-)-Quinic acid

(-)-Quinic acid structure

CAS No:
77-95-2
Formula:
C7H12O6
Chemical Name:
(-)-Quinic acid
Synonyms:
Cyclohexanecarboxylic acid,1,3,4,5-tetrahydroxy-,(1α,3R,4α,5R)-;Cyclohexanecarboxylic acid,1,3,4,5-tetrahydroxy-,(-)-;Cyclohexanecarboxylic acid,1,3,4,5-tetrahydroxy-,[1R-(1α,3α,4α,5β)]-;(1α,3R,4α,5R)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid;D-Quinic acid;(-)-Quinic acid;D-(-)-Quinic acid;Quinic acid;Quinic acid,(-)-;35949-55-4
Categories:
Cosmetic Ingredient > Buffering

Description

D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee.

(-)-quinic acid is the (-)-enantiomer of quinic acid. It is a conjugate acid of a (-)-quinate. It is an enantiomer of a (+)-quinic acid.|An acid which is found in cinchona bark and elsewhere in plants. (From Stedman, 26th ed)

(-)-Quinic acid Basic Attributes

Molecular Weight：

192.17

Exact Mass：

192.17

EC Number：

253-023-5

UNII：

058C04BGYI

NSC Number：

59258|1115

HScode：

29181980

Characteristics

PSA：

118

XLogP3：

-2.4

Appearance：

white crystalline powder

Density：

1.8±0.1 g/cm3

Melting Point：

162.5 °C

Boiling Point：

438.4°C at 760 mmHg

Flash Point：

233.1±25.2 °C

Refractive Index：

1.687

Water Solubility：

400 g/l (20 ºC)

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry area away from incompatible substances.

Collision Cross Section：

150.9 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|132.25 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|146.35 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|153.72 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|138.47 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|151.7 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|134.5 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S22-S24/25

RTECS Number：

GU8650000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

Acid, Quinic

(-)-Quinic acid Use and Manufacturing

Uses

D(-)-Quinic Acid is used in the synthesis of anti-influenza/anti-swine flu medication.

Use Classification：

Cosmetics -> Buffering

Computed Properties

Molecular Weight:192.17
XLogP3:-2.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:192.06338810
Monoisotopic Mass:192.06338810
Topological Polar Surface Area:118
Heavy Atom Count:13
Complexity:203
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 77-95-2

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Guide of (-)-Quinic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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(-)-Quinic acid

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