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Basic information
- CAS
3710-31-4- Standard SMILES
CCCCCC(O)CO- InChIKey
GCXZDAKFJKCPGK-UHFFFAOYSA-N- Molecular formula
- C7H16O2
- Average molar mass
- 132.2 g/mol
- Monoisotopic mass
- 132.11502975
Names & identifiers
- Preferred name
- 1,2-Heptanediol
- IUPAC
- heptane-1,2-diol
- English name
- 1,2-Heptanediol
- Molecular formula
- C7H16O2
- Molecular weight
- 132.2
Names & synonyms
1,2-Heptanediol3710-31-4AI3-13217RefChem:412067855-780-2heptane-1,2-diol1,2-DihydroxyheptaneMFCD018612871,2-heptane diolSCHEMBL153368SCHEMBL1875853SCHEMBL2369749
Show more names
Heptane-1,2-doil1,2-Heptanediol>1,2-HEPTANEDIOL 96+%
SCHEMBL3675527SCHEMBL7849858SCHEMBL9321967SCHEMBL11735326GCXZDAKFJKCPGK-UHFFFAOYSA-DTXSID50958269AKOS027321028SB84082
Database identifiers
- CAS
3710-31-4- PubChem CID
- 77302
- DTXSID
DTXSID50958269- EC Number
- 855-780-2
- Nikkaji
- J100.449B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 54
Experimental & physicochemical properties
Kovats Retention Index
1065；1065；1098
1470；1470
Physicochemical properties
- Melting point
- 44.24 °C · 44.24°C (estimate)
- Boiling point
- 130 °C · 130 °C / 11mmHg
- Density
- 0.94 · 0.94
- vapor pressure
- 38.2 hPa · 38.2hPa at 20-25℃
- refractive index
- 1.443 to · 1.4430 to 1.4470
- form
- Liquid
- pka
- 14.6 · 14.60±0.10(Predicted)
- color
- Colorless to Almost colorless
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - MISCELLANEOUS
- LogP
- 0.896 at · 0.896 at 22.6℃
- Surface tension
- 56.19 mN/m · 56.19mN/m at 1g/L and 20.2℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2905399590 · 2905399590
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationStatus: Active Update: 25-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32467
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)
Regulatory information
Regulatory InformationStatus: Active Update: 25-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32467
Safety data
- hs_code
- 2905399590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers30 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海比阳实业有限公司+86-15021878111 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
海蔚化学86-21-51086038 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [email protected]
上海易恩化学技术有限公司400-1332688 18019345275 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
3 records
Compound notes
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