6-(4-Hydroxyphenyl)hexanoic acid

HCID 247362
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Basic information

CAS
6952-35-8
Standard SMILES
O=C(O)CCCCCc1ccc(O)cc1
InChIKey
DQTMUMLMQOJHCI-UHFFFAOYSA-N
Molecular formula
C12H16O3
Average molar mass
208.25 g/mol
Monoisotopic mass
208.10994437

Names & identifiers

Preferred name
6-(4-Hydroxyphenyl)hexanoic acid
IUPAC
6-(4-hydroxyphenyl)hexanoic acid
English name
6-(4-Hydroxyphenyl)hexanoic acid
Molecular formula
C12H16O3
Molecular weight
208.25

Names & synonyms

6-(4-hydroxyphenyl)hexanoic acidDTXSID20289532RefChem:539415DTXCID70240678836-924-36952-35-8MFCD03425581benzenehexanoic acid, 4-hydroxy-4-Hydroxy-benzenehexanoic AcidNSC61820NSC 61820SCHEMBL503636
Show more names
6-(4-Hydroxyphenyl)hexanoicacidDQTMUMLMQOJHCI-UHFFFAOYSA-NLH0072NSC-61820AKOS022175486SY185902CS-0258187EN300-69344

Database identifiers

CAS
6952-35-8
PubChem CID
247362
DTXSID
DTXSID20289532
EC Number
836-924-3
Nikkaji
J3.307.059D

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
15

Physicochemical properties

Melting point
99 · 99-102°C
Boiling point
409.4 · 409.4±28.0 °C(Predicted)
Density
1.148 · 1.148±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, stored under nitrogen
pka
4.77 · 4.77±0.10(Predicted)
Appearance
White to off-white Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H335-H319-H315
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

Uses6-(4-Hydroxyphenyl)hexanoic Acid (cas# 6952-35-8) is a compound useful in organic synthesis.

Suppliers13 total

上海康恩博医药科技有限公司17510465506 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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