기본 정보
- CAS
10042-59-8- 표준 SMILES
CCCCCC(CO)CCC- InChIKey
YLQLIQIAXYRMDL-UHFFFAOYSA-N- 분자식
- C10H22O
- 평균 분자량
- 158.28 g/mol
- 단동위원소 질량
- 158.16706532
이름 및 식별자
- 우선 이름
- 2-Propyl-1-heptanol
- IUPAC
- 2-propylheptan-1-ol
- 현지명
- 2-프로필-1-헵탄올
- 영어명
- 2-Propyl-1-heptanol
- 분자식
- C10H22O
- 분자량
- 158.28
이름 및 동의어
2-Propylheptan-1-ol10042-59-82-PROPYL-1-HEPTANOL2-Propylheptanol1-Heptanol, 2-propyl-2-Propylheptyl AlcoholDTXSID9029302BRN 1361442ROZ1V94YZKAI3-25311EINECS 233-126-1DTXCID309302
이름 더 보기
2-프로필-1-헵탄올2-PHPHO2-propyl-1-heptano2-propylheptane-1-ol
EC 233-126-14-01-00-01827 (Beilstein Handbook Reference)RefChem:4832632-n-Propyl-1-HeptanolMFCD00046768UNII-ROZ1V94YZK2-propyl heptanolCAS-10042-59-8
데이터베이스 식별자
- CAS
10042-59-8- PubChem CID
- 24847
- DTXSID
DTXSID9029302- ChEMBL
CHEMBL3186950- UNII
- ROZ1V94YZK
- EC Number
- 233-126-1
- Nikkaji
- J49.364C
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 71.3
실험 및 물리화학적 성질
Physical DescriptionLiquid; CBI
물리화학적 성질
- 녹는점
- -1.53 °C · -1.53°C (estimate)
- 끓는 점
- 213.4 °C · 213.4°C (estimate)
- 밀도
- 0.828 · 0.8280
- 증기압
- 2 Pa · 2Pa at 25℃
- 굴절률
- 1.436 · 1.4360
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 15.09 · 15.09±0.10(Predicted)
- 색상
- 무색
- 수용성
- 물에 불용성. 가장 일반적인 유기 용매와 혼합 가능합니다.
- Henry's Law Constant
- 3.3 · 3.3×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3
- InChIKey
- YLQLIQIAXYRMDL-UHFFFAOYSA-N
- SMILES
- C(O)C(CCC)CCCCC
- LogP
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 16.7% (37 of 222) of reports.
Warning
H315 (77.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 222 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
1-Heptanol, 2-propyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Heptanol, 2-propyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2-propylheptan-1-ol (EC: 233-126-1)
1-Heptanol, 2-propyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (77.5%)
안전 데이터
- tsca
- TSCA listed
- rtecs
- MJ4800000
- 기존화학 물질
- KE-29831
화학 및 산업
용도 및 제조
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesPlasticizer
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Heptanol, 2-propyl-: ACTIVE
응용 분야
용도2-Propyl-1-heptanol (cas# 10042-59-8) is a compound useful in organic synthesis.
제조 방법
2-Propyl Heptanol (2-PH) is the precursor to Di-propylheptylphthalate (DPHP): a similar component to Di-ethylhexylphthalate (DEHP) and Di-octyl-phtalate (DOP) which is made from 2-Ethyl Hexanol (2-EH). It is produced from the hydroformylation ("oxo synthesis") of C4 alkenes followed by hydrogenation of the resulting aldehyde. The production route is similar to that for 2-Ethylhexanol.
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