10,12-Heptacosadiynoic Acid

HCID 20064705
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Basic information

CAS
67071-94-7
Standard SMILES
CCCCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O
InChIKey
DWPBEQMBEZDLDV-UHFFFAOYSA-N
Molecular formula
C27H46O2
Average molar mass
402.7 g/mol
Monoisotopic mass
402.34978071

Names & identifiers

Preferred name
10,12-Heptacosadiynoic Acid
IUPAC
heptacosa-10,12-diynoic acid
English name
10,12-HEPTACOSADIYNOIC ACID
Molecular formula
C27H46O2
Molecular weight
402.65

Names & synonyms

10,12-Heptacosadiynoic AcidRefChem:436936679-944-667071-94-710,12-Heptacosadiynoicacidheptacosa-10,12-diynoic acidMFCD00060065SCHEMBL417079DTXSID90602057DWPBEQMBEZDLDV-UHFFFAOYSA-NAKOS015839860FH61933
Show more names
TIMTEC-BB SBB00878310,12-HeptacosadiynoicAcid>10,12-HEPTACOSADIYNOIC ACID 95+%10,12-HEPTACOSADIYNOIC ACID, 98%10,12-HEPTACOSADIYNOIC ACID, 98%10,12-HEPTACOSADIYNOIC ACID, 98%10,12-HEPTACOSADIYNOIC ACID, 98%10,12-HEPTACOSADIYNOICACID,98%10,12-HEPTACOSADIYNOICACID,98%10,12-ChemicalbookHEPTACOSADIYNOICACID,98%10,12-HEPTACOSADIYNOICACID,98%
AS-87730CS-0363785H0666

Database identifiers

CAS
67071-94-7
PubChem CID
20064705
DTXSID
DTXSID90602057
EC Number
679-944-6
Nikkaji
J208.605K

Properties

Computed structural properties

XLogP
10.5
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
21
Heavy atoms
29

Physicochemical properties

Melting point
69 °C · 69 °C
storage temp.
Refrigerator
form
powder to crystal
color
White to Gray to Dark blue
CAS DataBase Reference
67071 · 67071-94-7
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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%)

Safety data

hs_code
2916.19.5000
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Suppliers33 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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