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6-PHENYLHEXANOICACID

6-PHENYLHEXANOICACID structure

CAS No:
5581-75-9
Formula:
C12H16O2
Chemical Name:
6-PHENYLHEXANOICACID
Synonyms:
NSC 66179;RARECHEM AH CK 0156;6-Phenylcaproic acid;BENZENEHEXANOIC ACID;6-PHENYLHEXANOIC ACID;6-Phenylhexanoic acid 98%;6-Phenylhexanoic acid,99%;6-Phenylhexanoic acid, 98+%
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White Solid

6-PHENYLHEXANOICACID Basic Attributes

Molecular Weight：

192.254

Exact Mass：

192.115036

UNII：

43U2R7T4EC

NSC Number：

66179

DSSTox ID：

DTXSID90204398

HScode：

2916399090

Characteristics

PSA：

37.30000

XLogP3：

3.23

Density：

1.1±0.1 g/cm3

Melting Point：

17-19°C

Boiling Point：

319.2±0.0 °C at 760 mmHg

Flash Point：

240.2±17.2 °C

Refractive Index：

1.523

Water Solubility：

479.8mg/L(30 ºC)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38:Irritating to eyes, respiratory system and skin .

safety instructions：

S26-S37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): 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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:192.25
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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