3-tert-Butyladipic acid

HCID 98967CAS 10347-88-3
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Basic information

Standard SMILES
CC(C)(C)C(CCC(=O)O)CC(=O)O
InChIKey
LHSCNQRBIIDZCB-UHFFFAOYSA-N
Molecular formula
C10H18O4
Average molar mass
202.25 g/mol
Monoisotopic mass
202.12050906

Overview

3-tert-butyladipic acid is a medium-chain fatty acid.

Names & identifiers

Preferred name
3-tert-Butyladipic acid
IUPAC
3-tert-butylhexanedioic acid
English name
3-tert-Butyladipic acid
Molecular formula
C10H18O4
Molecular weight
202.25

Names & synonyms

3-tert-Butyladipic acidEINECS 233-759-3DTXSID701020317NSC 158330RefChem:505392DTXCID601519977233-759-310347-88-33-(tert-butyl)hexanedioic acid3-tert-Butylhexanedioic acidHexanedioic acid, 3-(1,1-dimethylethyl)-3-t-Butyl-hexanedioic acid
Show more names
3-TERT-BUTYLADIPIC A3-T-BUTYL ADIPIC ACID3-Uncle Butyl has diacid3-T-BUTYL ADIPIC ACID 99%3-(tert-Butyl)hexanedioic3-Tert-butylhexandioicacid3-tert-butylhexanedioicaci
3-(TERT-BUTYL)-ADIPIC ACIDMFCD00020550NSC-1583303-(tert-Butyl)hexanedioicacidNSC158330beta-tert-Butyl-adipic acidFX4G9MGU673-tert-butyl-hexanedioic acid

Database identifiers

CAS
10347-88-3
PubChem CID
98967
DTXSID
DTXSID701020317
ChEBI
CHEBI:167756
UNII
FX4G9MGU67
EC Number
233-759-3
Nikkaji
J236.782C

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
14

Physicochemical properties

Melting point
112 · 112-115 °C(lit.)
Boiling point
375.34 °C · 375.34°C (rough estimate)
Density
1.103 · 1.103
vapor pressure
0 Pa · 0Pa at 20℃
refractive index
1.4393 · 1.4393 (estimate)
Flash point
213 °C · 213 °C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationREACH registered substance: 3-tert-butyladipic acid (EC: 233-759-3)
Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

wgk
3
risk_code
36/37/38-36
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36

Chemistry & industry

Applications

Uses3-(tert-Butyl)hexanedioic acid is a useful reactant for the synthesis of hexamethylenetetrathiafulvalene derivatives with substituted bulky alkyl groups which are studied for their transistor properties.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
清宁生物（江苏博泉生物科技有限公司）19352250998 · [email protected]

Additional notes

DefinitionChEBI: 3-tert-butyladipic acid is a medium-chain fatty acid.

Related reactions

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